Hi gromacs experts,
 
I used gromacs 4.5.3. my system has only spce water, no other types.
 
In .mdp file,
 
I used the following parameters;
 
define =
 
constraints = none
constraint-algorithm = Lincs
 
Can u tell me  Is it flexible water or all the bond, angle fixed using the 
above setting?
 
 
what is the equations of potential energy in Gromacs 4.5 using OPLSAA?
 
 
Best regards
-- 
gmx-users mailing list    [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists

Reply via email to