[gmx-users] RE : FEP : separating components of dgdl

[BON Michael]

Thanks Berk, everything is fine at last. 
I guess this is my last question : if for example I change three bond lengths from b0A=0.1 to b0B=0.15,  when I use gmxcheck with -ab, it prints only one difference between state A and B, instead of 3. Is this ok ?


Maik, what is the power you are using for soft core ?  


Many thanks Berk and Maik, you greatly helped me.
-------------- next part --------------
A non-text attachment was scrubbed...
Name: not available
Type: application/ms-tnef
Size: 2606 bytes
Desc: not available
Url : http://www.gromacs.org/pipermail/gmx-users/attachments/20080205/bd4d9683/attachment.bin