[gmx-users] How to read in mdcrd files to gromacs?

[Broadbent, Richard]

Dear Cat,

> Dear experts,
> 
> I am trying to do the following command:
> 
> /usr/local/gromacs/bin/g_covar_d -s test.pdb -f test.mdcrd -o -v
> 
If you are using -o & -v options you should specify files for them

> But the following error message is found:
> 
> -------------------------------------------------------
> Program g_covar_d, VERSION 4.5.5
> Source code file: trxio.c, line: 870
> 
> Fatal error:
> Not supported in read_first_frame: md0.mdcrd
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
> 
> What should I do next to solve this problem, I heard GROMACS can read mdcrd
> trajectory files from AMBER, right?
It can via VMD plugins:
http://www.gromacs.org/Documentation/How-tos/Using_VMD_plugins_to_read_traje
ctory_formats_not_native_to_GROMACS

Hope that's helpful

Richard
> 
> Best regards,
> 
> Cat
> 
>        
> 
>