On 28/10/2011 11:21 AM, Sanku M wrote:
Do you mean converting the gromacs trajectory into pdb file and using
vmd to convert the pdb into desmond trajectory ?
That's one possibility, yes. Or if VMD can natively write Desmond
format, you can link GROMACS with VMD libraries and write directly to
Desmond format, I suspect.
Mark
------------------------------------------------------------------------
*From:* Mark Abraham <mark.abra...@anu.edu.au>
*To:* Discussion list for GROMACS users <gmx-users@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:
Hi,
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.
Mark
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