Dear Editors:
I used gromacs version 4.0.7. I update ffG45a3.rtp to include my molecule with
its rtp in the attached file DRG.txt.And the pdb file of my molecule is mol.txt
and also attached. When I used the following command,there is an error!
pdb2gmx_mpi -ff G45a3 -f iso-C16.PDB
Opening
Subject: [gmx-users] [gmx-user]Error by pdb2gmx
Dear Editors:
I used gromacs version 4.0.7. I update ffG45a3.rtp to include my
molecule with its rtp in the attached file DRG.txt.And the pdb file of
my molecule is mol.txt and also attached. When I used the following
command,there is an error
Dear Yanmei Song:
I used gromacs version 3.3.1. I update ffG45a3.rtp to include my molecule. When
I run pdb2gmx using my molecules with the command:
pdb2gmx -f min_C16.pdb -o C16.pdb -p topol.top -ff G45a3
I got the error message:
Opening library file ffG45a3.rtp
Opening library file
- Original Message -
From: 佘安奇 she_an...@yahoo.cn
Date: Wednesday, May 19, 2010 16:17
Subject: [gmx-users] [gmx-user]Error by pdb2gmx
To: gmx-users@gromacs.org
---
| Dear Yanmei Song:
I used gromacs version 3.3.1. I update
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