AMBER Archive (2005)

Subject: Re: AMBER: Formatting a restraint file

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Wed Apr 13 2005 - 19:31:25 CDT

I'm trying to set distance restraints between the Ca and the O's of the
protein.

Any help is greatly appreciated!

Kara Di Giorgio

On Apr 13, 2005, at 2:18 PM, Carlos Simmerling wrote:

> do you want positional restraints? in that case you don't
> need the disang file. that's for distance, angle or dihedral
> restraints. tell us what you are trying to restrain and we can
> point you to the right spot...
> carlos
>
> Kara Wald wrote:
>
>> I'm trying to restrain a Ca within a protein for a dynamics
>> simulation and am having trouble formatting the DISTANG file.
>>
>> I've looked at the sample files in the manual and read the section.
>> What are r1 through r4? In the manual, there is a blank listed next
>> to them and I've found references to "should be formatted like
>> r1through r4" but no info about what they stand for/mean.
>>
>> Thanks,
>>
>> Kara Di Giorgio
>>
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>
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