Fufeng Liu, Please keep discussions on the list... And give a subject line that covers the topic of the mail.
Tsjerk ---------- Forwarded message ---------- From: [EMAIL PROTECTED] <[EMAIL PROTECTED]> Date: Jul 3, 2007 11:12 AM Subject: Can you help me? To: [EMAIL PROTECTED] Dear Tsjerk: I want to simulate two peptides, which have same sequences. I try the following methods, but they didn¡¯t work. 1. I put two peptides in a file using SYBYL software, But GROMACS think them as a protein. So LINCS warning turned up and 1-4 interactions also showed up and the simulation crashed. 2. I found some suggestions from GROMACS Mailing List and I tried giving chain identifiers. But it doesn¡¯t work. I think I didn¡¯t add chain identifier. Can you tell me how to add chain identifier? Can you tell me how to do it? 3. I build the two topologies on separate files and combine them, but get the same error as the first method. Can you tell me how to treat detailedly? Thank you in advance! Best Regards! Fufeng Liu -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
