[gmx-users] Read mdcrd from AMBER ---> Error Message

francesco oteri francesco.oteri at gmail.com
Thu Mar 8 19:13:47 CET 2012

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
perform trajectory reading.
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


Il giorno 08 marzo 2012 17:40, a a <patd_2 at 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
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Cordiali saluti, Dr.Oteri Francesco
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