Re: [AMBER] Small molecules paramters

From: Gustaf Olsson <>
Date: Fri, 29 May 2020 05:53:03 +0000

According to the fifth information webpage

“Amber-compatible parameters can also be generated, although Amber-style force field files are not output (users can convert though with parmed)”

It should be very possible. If it is advisable, I suspect that depends on the quality of generated parameters.

Best regards
// Gustaf

On 28 May 2020, at 14:47, Athena N <<>> wrote:

Hi all,

I want to know if it advisable to use any other force fields than gaff for
small molecules like some indole and pyridine systems.? If we generate some
parameters using fftk (force field tool kit), could we use those and do the
simulation in AMBER?

Thank you all
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Received on Thu May 28 2020 - 23:00:01 PDT
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