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: [EMAIL PROTECTED]
Phone: +44(0)1314518265 
Fax : +44(0) 131 451 3009 


 

_______________________________________________
gmx-users mailing list    gmx-users@gromacs.org
http://www.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 [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Reply via email to