Dear Kannan,
Thank you for your fast response. The problem is that the ligand is as far as 16 Ang., which is too far away from the coenzyme for any kind of bonding. here is the link for downloading my dist.jpeg file.http://we.tl/ACencjievC Do you think that this is a real PBC problem? Really looking forward to hearing from you. Best, ipek -- View this message in context: http://gromacs.5086.x6.nabble.com/PBC-problem-after-MD-tp5014519p5014522.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
