[gmx-users] Re: error during the minimization

[M.N. Manoj]

We have used the free tool Argus Lab for geometry opt of the protein. For
small protein it will work, but u can try it. Use UFF & BFGS options. Did u
checked the Ramachandran plot of your protein?


Subject: Re: [gmx-users] Re: error during the minimization

thanks for your advice Mr. Manoj
I tried the same simulation by taking a structure which was already
minimized  by another software Amber. Using that structure as the starting
structure also, i got the same error i mention earlier.
please suggest me something
thanks

-- 
M.N. MANOJ
PROJECT LEADER - BIOINFORMATICS
VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION
BANGALORE
INDIA
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070630/2e1419ef/attachment.html>