Re: [AMBER] Converting CGenFF CHARMM parameters in tleap

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 20 Feb 2024 13:51:46 -0700

On Tue, Feb 20, 2024, Collin Nisler via AMBER wrote:

>I load the .prmtop into tleap using the
>"loadamberparams" command,

This won't work. This command loads "parameter sets", such as frcmod files,
or "parm.dat" files like those in $AMBERHOME/cat/leap/parm. There is no
command in tleap to load an existing prmtop file: tleap writes such files,
but does not read them.

...hope this helps....dac


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Received on Tue Feb 20 2024 - 13:00:03 PST
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