[gmx-users] Re: simulation of protein/water and phosphate ion

bharat gupta bharat.85.monu at gmail.com
Tue Sep 27 09:15:01 CEST 2011


I have tried simulating my protein (GFP) solvated with water molecules and
10 phosphate ions. During the md run step the system starts exploding after
 500 ps. What could be the reason for this . I know this is happening due to
the addition of phosphate ion but I need to study the binding of ions . So,
what shall I do ??


Ph.D. Candidate
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110927/d1b638b2/attachment.html>

More information about the gromacs.org_gmx-users mailing list