AMBER Archive (2009)

Subject: AW: [AMBER] TWO restraints with different force constants

From: Aust, Susanne (saust_at_ipb-halle.de)
Date: Wed Aug 05 2009 - 07:31:38 CDT




Hello s. Bill
you have to define ntr=1,
then wright in your sander.in:

/
first restraint
7
RES 1 10
END
second restraint
100
RES 20 25
END
END

Good luck!
susanne

-----Urspr√ľngliche Nachricht-----
Von: amber-bounces_at_ambermd.org [mailto:amber-bounces_at_ambermd.org]Im
Auftrag von s. Bill
Gesendet: 05 August 2009 13:54
An: AMBER
Betreff: [AMBER] TWO restraints with different force constants


Dear AMBER
I was wondering how can I specify two resrains at the same time with two
different force constants:
for example:
I would like to restraint RES 1 10 with 7 force constant and to restraint RES
20 25 with 100 force constant.
Could you help me, please?




      
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