[AMBER] convert AMBER files to CHARMM

From: emanuele falbo <falbo.emanuele.gmail.com>
Date: Thu, 6 Jun 2019 14:06:36 +0100

Dear users,

I need to convert AMBER files to CHARMM files, basically I use paramed to
get the .psf and .crd file from the AMBER topology and coordinate as shown
in this link

https://github.com/ParmEd/ParmEd/issues/631

However, since I am using the QM/MM interface ChemShell , this latter also
askes me for the CHARMM topology file (.rtf).

So , my questions are :

1. Do you know how to get the CHARMM topology (file.rtf) from AMBER
topology and coordinates?

2. Or maybe, can I just use AMBER topology and coordinates in ChemShell?

Thanks in advance.

P.S. I am not using Sander for the QM/MM for specific reasons.

Cheers,
Manuele 


-- 
*Emanuele Falbo*
PhD student
Penfold group
School of Natural and Environmental Sciences
Bedson Building, Newcastle University
Newcastle upon Tyne, NE1 7RU
w: http://tompenfoldresearch.weebly.com/
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Received on Thu Jun 06 2019 - 06:30:02 PDT
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