[AMBER] Combining sevaral frcmods into single file

From: viktor drobot <linux776.gmail.com>
Date: Tue, 27 Aug 2019 17:16:13 +0300

Hello, dear AMBER users and developers. I wonder if there exists easy
way to combine several frcmods into one file.

I'll explain. For example, some AMBER programs allows consequent reading
of specified frcmod files and every next file overwrites corresponding
parameters (if any) that existed before (mdgx, tleap are programs of
such type). I want to possibly evade error-prone combination of two
consequent frcmods by hand and ask you if such a method already exists.

Example. I have init.frcmod from parmchk2 output and params.dat from
mdgx refinement. In tleap I can load two files one after another:
loadAmberParams init.frcmod
loadAmberParams params.dat
and after that I get the final set of parameters. Is it possible to use
any tools from AMBER package to create one frcmod file from two?

Thank you!

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Received on Tue Aug 27 2019 - 07:30:03 PDT
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