Re: [AMBER] assigning a primed atom

From: Thomas Cheatham <>
Date: Sat, 10 Dec 2011 12:04:40 -0700 (Mountain Standard Time)

> I've got an error message when assigning a primed atom such as O4' in ptraj
> input.
> for example
> dihedral 16.O4' :16.C1' :16.N1 :16.C2 out kai.xls

You need to name the dihedral...

dihedral dih1 16.O4' :16.C1' :16.N1 :16.C2 out kai.xls

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Received on Sat Dec 10 2011 - 11:30:03 PST
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