[AMBER] using multiple force fields in a simulation

From: Bhushan <nagbiotech1.gmail.com>
Date: Thu, 30 Oct 2014 13:15:40 +0530


I have a query regarding the usage of two different force fields in single
simulation, like protein and lipid. I believe both should be assigned with
different force fields. In such case how to generate the prmtop file.

Do we need to generate two different prmtop files (protein.prmtop and
lipid_membrane.prmtop) and then merge them before solvating, or what should
I do.

Please help me out.

Thanks to everyone for their time and help.

Awaiting your reply,

With Regards,
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Received on Thu Oct 30 2014 - 01:00:02 PDT
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