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

a a patd_2 at hotmail.com
Thu Mar 29 19:18:09 CEST 2012


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
But the following error message is found:
-------------------------------------------------------Program g_covar_d, VERSION 4.5.5Source code file: trxio.c, line: 870
Fatal error:Not supported in read_first_frame: md0.mdcrdFor more information and tips for troubleshooting, please check the GROMACSwebsite 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?
Best regards,
Cat
 		 	   		  
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