[gmx-users] use of DPOSRES without pdb2gmx

[pbuscemi at q.com]

Dear Users,

Suppose you do not use pdb2gmx  and therefore do not use  the -I option for
all constraints. Suppose further you do not generate a restraint file for
the non-protein molecules in the model.

Then what effect, if any,  does setting constraints = all-bonds or h-bonds
have ?  

 

Thanks

Paul