AMBER Archive (2001)

Subject: Belly+Restraints

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Fri Sep 07 2001 - 05:32:16 CDT

Hello,
        Is it possible to do a belly dynamics in the following way?
Molecule A is frozen, Molecule B and solvent are allowed to move, and
there are distance restraints between Molecule A and Molecule B. I am
trying to get this done for sometime and ending up only with different
error messages. What baffels me most is how to tell sander which groups
are for belly and which for distance restraints.

Thanking you very much,
-Sanjeev