Re: [AMBER] Which language could tleap know?

From: David Case <david.case.rutgers.edu>
Date: Thu, 26 Dec 2019 14:39:08 +0000

On Thu, Dec 26, 2019, mwli.mail.ustc.edu.cn wrote:

>I want to do make scripts about setup of tleap to achive automatic, I am
>using python to do it , but I find that tleap of amber could not identify
>this language ,such as calculating to have numbers of NA and CL . So, I
>do not know which language can do it ?

The "language" that tleap processes is a simple set of commands, not any
programming language. Type "help" at the tleap prompt to see all the
possibilities.

Generally, you would use python (or some other language) to create a
tleap.in file, the feed that to tleap via a (system) command 'tleap -f
tleap.in'

....dac


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Received on Thu Dec 26 2019 - 07:00:02 PST
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