AMBER Archive (2009)

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

From: A. Gomez-Sicilia (agomezsicilia_at_cajal.csic.es)
Date: Wed Aug 05 2009 - 07:20:54 CDT

Hi,
I think I might know the answer to that: When you define a group, you state
the following:

C alpha #group name
20 #restriction strength
... #group specification
END

So, I presume that if you define two groups, and change the strength of the
restriction (2nd line), this should solve the problem. I never tried this
myself so I'm not sure if it will work, but it looks like it will.

2009/8/5 s. Bill <s_bill36_at_yahoo.co.uk>

> 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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-- 
A. Gomez-Sicilia
Protein nanomechanics lab
Cajal Institute - CSIC
Avda. Doctor Arce, 32
28002 Madrid (Spain)
Phone number: (+34) 91-585.48.30
Fax number: (+34) 91-585.47.54
E-mail: agomezsicilia_at_csic.cajal.es
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