[AMBER] Gromacs towards Amber conversion

From: Simone Fulle <fulle.bio.mx>
Date: Sat, 28 Mar 2015 14:25:27 +0000


I would like to use force field parameter of modified amino acids, which are already available in the Gromacs format. As I would like to use Amber for the simulations, I am aiming to transform these parameters into the classical Amber .lib and .frcmod format. I found solutions to convert Amber towards Gromacs file formats but, unfortunately, not the other way around (i.e. Gromacs towards Amber). Maybe I just missed it - are there any scripts or functions which I could use for the conversion?



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Received on Sat Mar 28 2015 - 07:30:03 PDT
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