> Fatal error: > Invalid line in peptide_dppc64_water.gro for atom 20704: > 4.72500 4.23200 12.00000 > This looks like a box dimension line. Have you renumbered the .gro file? The second line in the .gro file specifies the number of atoms in the file, and if you have manually deleted water molecules, the number of atoms in the system will be less than what you started with.
At least, that's been my experience when dealing with similar systems. -Justin Justin A. Lemkul Biochemistry Alpha Chi Sigma, AI '04 Virginia Tech _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
