> > " Molecule in topology has atom numbers below and above natoms. you are > probably trying to use a trajectory which does not match the first 330 atoms > of the run input file. You can make a matching run input file with tpbconv."
Use the same .tpr file that you submitted to mdrun to generate the trajectory. It has the reference structure for your simulation (t=0). Try with -pbc nojump and -pbc whole to see which reconstructs your system appropriately. -Justin > > with regards > Anamika > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! 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
