[AMBER] Charm-gui and water models

From: Danial Pourjafar-Dehkordi <dp.dehkordi.tum.de>
Date: Tue, 12 Jun 2018 17:56:10 +0200

Hi all!

I’m using charmm-gui to solvate a protein and run the simulations using Amber. However, it seems like that the only water model available on charm-gui is TIP3P. I was wondering if there is a way to convert the water molecules of a *.parm7 file to another water model such as OPC or TIP4P?

Would appreciate your help,

Danial P.Dehkordi
Institute of Theoretical Biophysics - Molecular Dynamics <https://www.t38.ph.tum.de/index.php?id=5>
Physic Department <http://www.ph.tum.de/>
Technical University of Munich

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Received on Tue Jun 12 2018 - 09:00:03 PDT
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