From: Cesar Luis Avila (cavila_at_fbqf.unt.edu.ar)
Date: Fri Sep 01 2006 - 20:02:36 CDT
Where can I find information on when to generate angles and dihedrals
for different segments?
Throughout internet I have found different ways for generating segments
auto none }
According to psfgen manual "Because CHARMM uses an additional H-H bond
we must disable generation of angles and dihedrals for segments
containing waters". Does this apply only to TIP3? What about other water
For membranes :
auto none dihedrals}
This options were used by membrane builder on VMD. Does this also apply
to other lipids like DMPC? Why shouldn't angles be generated in this case?
At last for proteins
auto angles dihedrals}
This options were used by autopsf builder on VMD.
Any help will be very much appreciated.
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:58 CST