[gmx-users] How to convert a gromacs trajectory to Desmond trajectory format
msanku65 at yahoo.com
Fri Oct 28 02:21:43 CEST 2011
Do you mean converting the gromacs trajectory into pdb file and using vmd to convert the pdb into desmond trajectory ?
From: Mark Abraham <Mark.Abraham at anu.edu.au>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Thursday, October 27, 2011 7:16 PM
Subject: Re: [gmx-users] How to convert a gromacs trajectory to Desmond trajectory format
On 28/10/2011 9:46 AM, Sanku M wrote:
> I was looking for some way out for converting the trajectory-files back and forth between two softwares between gromacs and Desmond.
>More specifically, if I run a simulation for a particular system using gromacs 4.5.4 , how can I convert it into Desmond trajectory file format ?
There are so many interconversion tools that there must be some
intermediate format that both can read and write. At worst, PDB.
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