gromacs.org_gmx-users@maillist.sys.kth.se

0

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problem with introducing a new structure in gromacs, please help if anybody knows

started 2018-12-11 02:31:05 UTC

2018-12-11 02:31:05 UTC

banijamali_fs

0

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using dual CPU's

started 2018-12-11 02:21:04 UTC

2018-12-11 02:21:04 UTC

p buscemi

5

replies

gmx select with coordinates

started 2018-09-27 11:14:57 UTC

2018-12-11 02:16:03 UTC

Shan Jayasinghe

13

replies

mdrun-adjusted cutoffs?!

started 2018-12-05 04:35:17 UTC

2018-12-11 02:07:01 UTC

Szilárd Páll

0

replies

damping coefficient in the Langevin thermostat ?

started 2018-12-11 02:06:38 UTC

2018-12-11 02:06:38 UTC

Nikhil Maroli

1

reply

the aggregation of a peptide using gromacs

started 2018-12-08 23:43:08 UTC

2018-12-10 11:57:49 UTC

Mark Abraham

4

replies

Install GROMACS 2018 with CUDA features in dynamic linking way

started 2018-12-07 15:38:55 UTC

2018-12-09 03:00:03 UTC

Gmail

0

replies

download GROMOS54a6oxy

started 2018-12-08 16:55:19 UTC

2018-12-08 16:55:19 UTC

Dr Tushar Ranjan Moharana

0

replies

Volume Contraction Issue

started 2018-12-08 03:08:26 UTC

2018-12-08 03:08:26 UTC

tca1

1

reply

gromacs.org_gmx-users Digest, Vol 176, Issue 11

started 2018-12-07 12:12:12 UTC

2018-12-07 12:01:26 UTC

Benson Muite

0

replies

How restrain the end-to-end distance in simulation?

started 2018-12-06 20:58:04 UTC

2018-12-06 20:58:04 UTC

Mehdi Bagherpour

1

reply

numpy related problem in GROMACS protein-ligand file preperation

started 2018-12-06 18:57:20 UTC

2018-12-06 18:51:35 UTC

Benson Muite

13

replies

Gmx distance

started 2018-10-27 17:03:08 UTC

2018-12-06 17:14:52 UTC

Dallas Warren

3

replies

[ implicit_genborn_params ] for Gromos54a7 FF

started 2018-12-05 02:58:49 UTC

2018-12-06 16:07:30 UTC

David van der Spoel

0

replies

Question on pressure coupling

started 2018-12-06 01:44:28 UTC

2018-12-06 01:44:28 UTC

Mohsen Ramezanpour

0

replies

Umbrella sampling, choice of number of windows

started 2018-12-05 21:18:10 UTC

2018-12-05 21:18:10 UTC

Nawel Mele

0

replies

Freezing Spherical Nanoparticle

started 2018-12-05 12:38:55 UTC

2018-12-05 12:38:55 UTC

z***@tezu.ernet.in

0

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problems with running gmx do_dssp

started 2018-12-04 17:15:43 UTC

2018-12-04 17:15:43 UTC

Dr. Puspita Halder

0

replies

Pure-liquid MD Simulations

started 2018-12-04 10:54:56 UTC

2018-12-04 10:54:56 UTC

Shan Jayasinghe

0

replies

grompp Overriding bond parameters and Proper Dih. parameters

started 2018-12-03 21:21:59 UTC

2018-12-03 21:21:59 UTC

Sajad Ahrari

0

replies

Local stress tensors

started 2018-12-03 18:58:10 UTC

2018-12-03 18:58:10 UTC

Ali Khodayari

5

replies

(no subject)

started 2018-11-23 11:58:54 UTC

2018-12-03 17:02:33 UTC

maya nair

2

replies

Regarding trjconv

started 2018-12-02 22:22:00 UTC

2018-12-02 23:32:05 UTC

Ali Khodayari

1

reply

About Plumed+Gromacs+MPI

started 2018-12-02 09:13:31 UTC

2018-12-02 22:36:54 UTC

Justin Lemkul

1

reply

Glycine zwitterion parameters in Amber FF

started 2018-12-01 02:04:26 UTC

2018-12-01 08:56:53 UTC

Justin Lemkul

4

replies

PME and solvation free energy for individual ions

started 2018-12-01 00:56:33 UTC

2018-12-01 08:34:58 UTC

Eric Smoll

4

replies

non-zero total charge

started 2018-11-30 00:13:56 UTC

2018-12-01 04:07:00 UTC

Ali Khodayari

2

replies

Frozen groups lead to a high energy

started 2018-11-30 05:23:51 UTC

2018-12-01 02:47:39 UTC

Sam David

1

reply

TIP3P water

started 2018-11-30 05:44:24 UTC

2018-12-01 01:29:18 UTC

Justin Lemkul

0

replies

RMSF calculation

started 2018-11-30 20:17:56 UTC

2018-11-30 20:17:56 UTC

Hermann, Johannes