Did you remember to use pbc=xyz in your mdp file? It appears that you have a molecule broken between P8 and C13 of residue (dpc molecule) 19. While dppc128.pdb has a pbc-broken residue 19, P8 and C13 should still be on the same side of the boundary (dppc_npat.pdb and dppc64.pdb have the entire molecule for DPC residue 19 in the same image).

I haven't used dppc myself, but the files look good. Send some more info about your setup if you alreaady used pbc=full and the comments from Mark and Tsjerk don't lead to a solution. Also, pls check to see if you get any error/warning messages prior to the one that you have reported.

_______________________________________________
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

Reply via email to