N. Sundar Ram wrote:
Hi everyone,
I am a new user of gromacs. I am running MD for a Pleckstrin
homology domain (100 amino acids) in 8 nodes (32 CPUs). After
Mdurn i get the following error: "Number of grid cells is
zero. system is collapsing".
Though I saw many mails regarding this problem in the mailing list, I
could not get a proper answer.
Can anyone please tell me what should I do to get it running.
Thanking you in advance.
fix the problems in your structure most likely. Did you say homology?
check the wiki.
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
_______________________________________________
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
