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

From: Nihal Korkmaz <enihalkorkmaz.gmail.com>
Date: Thu, 11 Oct 2012 18:53:56 -0500

Dear all,

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 or I should be able to
tell to add OXT in ptraj to make the truncated coordinates and topology
files compatible.

I appreciate any help on this matter,
Nihal Korkmaz

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Received on Thu Oct 11 2012 - 17:00:02 PDT
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