Re: [AMBER] phosphorylated residues

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Fri, 10 Dec 2010 10:07:16 -0800

> RES = loadamberprep your_prep_file.prep
> set RES head RES.1.ATOM
> set RES tail RES.1.ATOM2

It used to be that the RES name was defined in the prep file.
If this is still the case, you would just need

> loadamberprep your_prep_file.prep

Not sure if setting 'RES =' could create a problem.
Note that >1 residue type can be defined in a prep file.


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Received on Fri Dec 10 2010 - 10:30:04 PST
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