YOu have atomic overlaps or not energy minimized your starting structure.

Best, Jochen


pavan payghan wrote:
hi ...
while running mdrun im getting an error water molecule is not settled there is only single such water molecule what should be possible way
      out...?
      the same system when i run in previous version of gromacs it showed
      wrote pdb files with previous & current coordinates segmentation
      fault, what is the reason behind this difference in error ?


--
---------------------------------------------------
Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755
---------------------------------------------------

--
gmx-users mailing list    gmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to