11 Aug
2004
11 Aug
'04
5:02 a.m.
Dear modeller people,
these questions be a immature to ask as I don't know the complete algorithm, but as they came to my mind, so they are as follows;
1. If only optimization of molecular pdf is performed , not the molecular dynamics simulation, will there still be violations and if so then why, as molecular pdf optimization must keep all features in limits?
2. Is there any feature , which comes under category of both stereochemical as well as homology derived restraints? If then will that be optimized separately for both?
best regards
--
VIVEK SHARMA