---------- Forwarded message ---------- From: He, Yang <[EMAIL PROTECTED]> Date: Mon, Oct 13, 2008 at 5:35 PM Subject: gromacs To: "[EMAIL PROTECTED]" <[EMAIL PROTECTED]>
Hi , I am using the gromcas to simulate the course grain for DNA. I listed the new atom types in the .atp file like this Ab 134.1; Adenine base Tb 125.1; Thymine base S 83.11; Sugar P 94.97; Phosphate But when I run this, it always showa that Atomtype 'Ab' not found! and Twin-range neighbour searching (NS) with simple NS algorithm not implemented I wonder whether you can give me some suggestions about how to solve the problems. Also, can you tell me how to define the potential functions which is not inlucded in the gromacs in the files. Thank you for your possible reply. Regards, Yang He -- 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 [email protected] 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
