Re: [AMBER] Error in preparing system using AmberTools19

From: David Case <>
Date: Mon, 22 Jul 2019 20:39:21 +0000

On Mon, Jul 22, 2019, shivangi agarwal wrote:

>loadoff ions94.lib

Don't do this! You are loading a very old ions file, that no longer
correponds to any current recommended force field.

All you should need to do is "source leaprc.water.tip3p". (Plus load
any protein and nucleic acid leaprc files you need.)

This suggestion has been posted before, so please try to read carefully
the earlier responses.


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Received on Mon Jul 22 2019 - 14:00:02 PDT
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