Re: [AMBER] different residues use different force to restrict

From: David A Case <>
Date: Mon, 5 Mar 2012 08:15:04 -0500

On Mon, Mar 05, 2012, xiaojiong wrote:

> I want to use different force to restrict different residues.How do I write the command in the input file?Can I write it like this:
> ntr=1, restraintmask=':1-405,6735',
> restraint_wt=50.0,
> restraintmask=':406-6734,6736-6741',
> restraint_wt=10.0,

This sort of restraint is not supported with the "restraintmask" syntax.
You can use the older GROUP input to do this. See Appendix B of the Amber
Users' Manual.


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Received on Mon Mar 05 2012 - 05:30:02 PST
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