Dear users,
Anyone knows how can I use trjconv to convert an xtc file to pdb format without
need to tpr file ?
Thanks,
Neda
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On 8/7/17 2:42 AM, Neda Rafiee wrote:
Dear users,
Anyone knows how can I use trjconv to convert an xtc file to pdb format without
need to tpr file ?
trjconv does accept PDB files to -s but then you don't get PBC or connectivity
information. You need to provide some source of atom and resid
Thanks a lot Justin
Neda
- Original Message -
From: Justin Lemkul
To: gmx-us...@gromacs.org
Sent: Mon, 07 Aug 2017 19:08:05 +0430 (IRDT)
Subject: Re: [gmx-users] converting xtc to pdb without need to tpr file using
trjconv
On 8/7/17 2:42 AM, Neda Rafiee wrote:
> Dear users,
>