Date: Wed, 25 Apr 2001 13:55:32 +0400
From: Svetlana Nolde
Subject: Re: How to let IBELLY and NTR both on?
> During my research, I want to restrain part of the
> atoms in the molecule using NTR=1 and frozen other
> atoms using IBELLY=1. The problem is how to write the
> group input? How does the program know which part of
> group input is specified by IBELLY and which part
> belongs to NTR. Or it is impossible to let the NTR and
> Belly both turn on?
Group input for restrain should go first.
For example:
Group input for restraint
10.00
FIND
* OW * *
SEARCH
RES 203 411
END
END
Group input for belly
RES 200 16077
END
END