Hi Catherine, you should install any gromacs *4.5.x*, and then you can use gromacs with each trajectory supported by VMD because gromacs is able to use VMD plugin to perform trajectory reading. Basically: 1) Install the latest gromacs version 2) Install VMD 3) Set the variable VMD_PLUGIN_PATH to contain the complete path of the molfile vmd directory. In my case, for example: VMD_PLUGIN_PATH=/apps/vmd/1.9/**lib/vmd /plugins/LINUXAMD64/**molfile
Francesco Il giorno 08 marzo 2012 17:40, a a <pat...@hotmail.com> ha scritto: > Dear Sir/Madam, > > I learnt that we can use mdcrd from AMBER directly. > > I have used the following commands. > > /share1/gromacs/bin/g_covar -s xxx.pdb -f xxx.mdcrd -o -v > > An error message was obtained. > > Program g_covar, VERSION 4.0.7 > Source code file: gmxfio.c, line: 737 > > Can not open file: > md0.mdcrd.xtc > > Did I do anything wrong? > > Best regards, > > Catherine > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Cordiali saluti, Dr.Oteri Francesco
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