[gmx-developers] implicit solvent
晓英
xiaoyingw11 at 163.com
Thu Jul 14 05:48:16 CEST 2011
Dear developers,
I'm doing implicit solvent in gromacs 4.5.2 with amber03 force field but it appears some problem. I have done energy minimization .Then mdrun in NVT,but there is always LINCS error .When I make impolicit_solvent=no,it can run successfully. I have send a email to gmx-users but there is not a good solution. Is there a problem in the parameter settings? Can you give me some advice of my mdp file ? mdp file is in the attachment. Thank you very much!
Best wishes!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20110714/bc613fd0/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: md.mdp
Type: application/octet-stream
Size: 10418 bytes
Desc: not available
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20110714/bc613fd0/attachment.obj>
More information about the gromacs.org_gmx-developers
mailing list