>Are you sure you want comm_mode = angular ? It seems like you have a >periodic system.
I do have PBC and a quick search indicates that angular is possible with PBC but can lead to lincs errors or overlaps when using explicit solvent (although I can't find any reasoning. Anyone know of a reference?) Regardless, I have switched to linear. Hopefully this is the issue here. >Are you sure you want to run this system without constraints? Do you mean all-bonds instead of h-bonds in order to speed things up? My final system will be much smaller, I am currently using a 4X size with inverted quadrants 1 and 3 to mimic the P21 asymmetric unit of Dolan Biophys. J. 2002 during membrane equilibration after protein insertion. If you were not referencing speed, I would benifit from some more explanation. >If the processes are still there you can kill -HUP them and they should >terminate gracefully, writing all files etc. Thanks for the tip about the -HUP option. And thanks for the lead on comm_mode, that seems to be a likely suspect. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
