Sir, Sorry for missing the subject in previous mail and adding new content in the old mail.
Thanks Sir, for your suggestions. Changing the parameters in PRODRG generated .itp file just solved the problem. The bond lengths and hybridisation remained the same. The problem was there. Read your reference too. Regards, Radhika -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
