[gmx-users] maestro cms file to gromacs

[Sotirios Dionysios I. Papadatos]

In maestro export project > (save_as) atomName.pdb
Just another way to avoid using another program

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Smith, Micholas D. <smithmd at ornl.gov>
Sent: Monday, September 28, 2015 3:15 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] maestro cms file to gromacs

A quick and dirty way to do it is to load the cms file into vmd (or other reader) and save a copy as pdb, then use pdb2gmx. This may give you trouble, in which case you will need to hand write a topology file and then use one of the other tools on the pdb verison of your system to make a .gro file.

-Micholas

===================
Micholas Dean Smith, PhD.
Post-doctoral Research Associate
University of Tennessee/Oak Ridge National Laboratory
Center for Molecular Biophysics

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Chetan Puri <chetanpuris at gmail.com>
Sent: Sunday, September 27, 2015 4:12 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] maestro cms file to gromacs

Is there any way to use maestro cms file  for md simulations in gromacs.
--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

--
Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.