Re: [AMBER] tLeap adding non-library hydrogens

From: David Poole <>
Date: Sun, 8 Jan 2017 21:41:46 +0100

Ah, thank you dac,

Yeah, I am using amber to run Guassian as a QMMD program for these
structures to then feed the results into parameter fitting via
Paramfit. So for me, the initial structures are rather important to
get right.

It has been apparent that in addition to the modification of existing
features, the development of new tools is also good. If I produce
anything useful, but minor, how would I suggest it as an improvement
to the package?


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Received on Sun Jan 08 2017 - 13:00:02 PST
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