[gmx-users] g_energy -fee -inf problem

[Naser, Md Abu]

Hi All User,

I am getting free energy difference -inf.
1st I run a protein in water molecule and then I made a different 
topology file with deleting 4 disulfide bonds and accordingly the angles and
diherdal angles. Then, I run -rerun for the both and and g_energy -fee, which
giving me free energy difference -inf.

Can anyone please point me out where I am making mistakes.

With thanks in advance,    

Abu Naser 

School Of Life Sciences 
Heriot-Watt University 
Edinburgh EH14 4AS 
Email: mn2 at hw.ac.uk
Phone: +44(0)1314518265 
Fax : +44(0) 131 451 3009 


 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070922/967df5a0/attachment.html>