and every atom?
>
>
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Sotirios
> Dionysios I. Papadatos <si.papada...@edu.cut.ac.cy>
> Sent: Saturday, January 14, 2017
day, January 14, 2017 4:06 PM
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] converting pdb file to gromacs input file
In pdb2gmx you give as an input the filename.pdb. This should do the trick. But
I think there is something else that you truly need. Maybe you need some more
info on how to
...@maillist.sys.kth.se
<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Subashini .K
<subashi...@hotmail.com>
Sent: Saturday, January 14, 2017 12:04:40 PM
To: gmx-us...@gromacs.org
Subject: [gmx-users] converting pdb file to gromacs input file
Hi gromacs users,
I am a new groma
Hi gromacs users,
I am a new gromacs user.
I wanted to generate a .gro, .itp, .conf file using the command
$ gmx pdb2gmx -f lig.pdb
However, the pdb file must be in the required format.
What should we type instead of LIG corresponding to each and every atom?
This is an example file of
