Re: How to let IBELLY and NTR both on?

From: Svetlana Nolde <>
Date: Wed 25 Apr 2001 13:55:32 +0400

> 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
* OW * *
RES 203 411
Group input for belly
RES 200 16077

Svetlana B. Nolde Email:
Shemyakin and Ovchinnikov Institute of
Bioorganic Chemistry Phone: +7-095-330-7483
Ul. Miklukho-Maklaya 16/10 Fax: +7-095-335-5033
Moscow 117997 Russia URL:
Received on Wed Apr 25 2001 - 02:55:32 PDT
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