[AMBER] Suggestions for additions to AmberTools

From: Francesco Pietra <chiendarret.gmail.com>
Date: Tue, 28 Jun 2011 23:21:25 +0200

>From ambertools 1.5 manual:

"We hope to add new functionality to AmberTools as additional programs
become available. If you have suggestions for what might be added,
please contact us."

Although it is not a new program, I suggest - if technically feasible
- moving program "charmmgen" from Amber code to AmberTools code. It is
a tool, and as such - although sporadically used - I hope that it will
be maintained. For example, in Amber10 (I am still at Amber10)
charmmgen does not recognize fully the atom type "cz" (guanidines
arginine), which, at least in one case, I could remedy by a


francesco pietra

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Received on Tue Jun 28 2011 - 14:30:03 PDT
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