<quote who="Mark Abraham"> > Nicolas SAPAY wrote: >> Actually, I had a doubt on what happens when movements of the center of >> mass are removed and when the position of a molecule is constraint... >> Just >> wanted to check my calculations... > > As a suggestion, if you say what your real problem is in your original > question, you stand a much better chance of getting the answer you > wanted, and a lower chance of irritating people who either think you're > asking a trivial question or are wasting their time. The same goes for > the CHARMM hydrogens thread :-) > > Removing the solute COM motion degrees sounds like 3 or 6, which won't > be significant. Frozen molecules don't have any DOF, but > position-restrained ones will have a few (but nothing like 3N-5). > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > 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 > > >
Thanks for the advice! I was too much focused on my problems and have forgotten that others don't know what happens in my mind. I will take care of giving more explanations next time. Nicolas _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
