yep. On Tue, Mar 9, 2010 at 10:15 AM, David van der Spoel <[email protected]>wrote:
> On 2010-03-09 19.09, Joe Joe wrote: > >> Hi I am trying to post process and xtc trajectory using g_dist. I am >> trying to calculate the CA-CB distance of an Alanine residue but I get >> NAN in all the distance columns. It works for the other residues I've >> tried (i.e. SER, VAL). I am using vsites in my simulation and I think it >> may have some thing to do with the way gromacs outputs the CB positions >> in the xtc file when the CB is part of the vsite network. Any thoughs? >> >> Thanks, >> >> Ilya >> >> Are you sure your index file matches the xtc/tpr? > > -- > David van der Spoel, Ph.D., Professor of Biology > Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. > [email protected] http://folding.bmc.uu.se > -- > gmx-users mailing list [email protected] > http://lists.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 >
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