[gmx-users] CHARMM traj.
periole at inka.mssm.edu
Tue Jul 22 16:50:01 CEST 2003
People have been writing scripts to convert DCD to XTC. Should be
possible to get the script.
For writing pdb file from CHARMM, nothing easier. read your trajectory
and write throught a loop inside the CHARMM input every frame or
every two frames. Go to the manual at corman.doc every think is there.
----- Original Message -----
From: "Nguyen Hoang Phuong" <phuong at theochem.uni-frankfurt.de>
To: <gmx-users at gromacs.org>
Sent: Tuesday, July 22, 2003 10:38 AM
Subject: [gmx-users] CHARMM traj.
> Dear All,
> I just want to run one simulation with CHARMM program. Does anyone how
> how to convert the dcd (binary) file to the readable file? or how to
> from CHARMM the trajectory with multiple frames in a single pdb file?
> Thank you very much in advance!
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