Re: [AMBER] completing C-term atoms after strip in ptraj

From: David A Case <>
Date: Fri, 12 Oct 2012 07:56:18 -0400

On Thu, Oct 11, 2012, Nihal Korkmaz wrote:
> I stripped the C-terminal of my protein from the trajectory by saying
> "strip :61-93" with ptraj. However, the C-terminal is left as -CO, I
> want to add an OXT so that it would be compatible with truncated
> topology that I get with tleap.
> I should either turn off atom addition in tleap...

To do this, modify (or just delete) the PdbResMap array in (a copy of) the
leaprc file you are using.


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Received on Fri Oct 12 2012 - 05:00:03 PDT
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