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

Mark Abraham Mark.Abraham at anu.edu.au
Thu Mar 8 22:53:20 CET 2012


On 9/03/2012 3:40 AM, a a wrote:
> 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?

Did you read and follow the link I gave you? 
http://www.gromacs.org/Documentation/How-tos/Using_VMD_plugins_to_read_trajectory_formats_not_native_to_GROMACS. 
The error you cite means GROMACS did not find your VMD plugins. You 
should not need to update GROMACS, per someone else's suggestion.

When asking for help, please copy and paste your full command line. 
Details and precision are usually important, though not here.

Mark
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