In maestro export project > (save_as) atomName.pdb Just another way to avoid using another program
________________________________________ From: [email protected] <[email protected]> on behalf of Smith, Micholas D. <[email protected]> Sent: Monday, September 28, 2015 3:15 PM To: [email protected] 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: [email protected] <[email protected]> on behalf of Chetan Puri <[email protected]> Sent: Sunday, September 27, 2015 4:12 AM To: [email protected] 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 [email protected]. -- 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 [email protected]. -- 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 [email protected].
