Hi Bernhard, >> I tried to use the x2top function of gromacs 4 on a sugar-molecule.
>> Library file ffG43a1.n2t not found in current dir nor in default Why would you want to use the Gromos96 43a1 force field for this and why use x2top to provide the topology for it? As Justin said, you could use the PRODRG topology. But carbohydrates have been properly parameterized for the Gromos96 45a3 force field (and the parameters are als in 53a5/53a6). If you're serious about the dynamics of your sugars, you'd better construct a topology in line with these parameters. For the parameters, check the paper from Roberto Lins and Wilfred van Gunsteren (don't know the ref by heart). Cheers, Tsjerk -- 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
