Re: [AMBER] regading no tortion terms

Date: Wed, 12 Jan 2022 04:12:23 +0000

For charges I was generating resp.prepi file and from there I generate prepc file which one I was loading previously

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From: David A Case <>
Sent: Wednesday, January 12, 2022 7:37:56 AM
To: AMBER Mailing List <>
Subject: Re: [AMBER] regading no tortion terms

On Tue, Jan 11, 2022, MIRA JHAWAR wrote:

>x = loadmol2 morin.mol2

This looks wrong: your residue appears to called "MOL" in the pdb file.
So you need to use something like "MOL = loadmol2 morin.mol2"

You can use the "list" command after the loadmol2 command to see what units
(residues) are loaded, and "desc" command to see what is inside your
MOL residue.

>Warning: Unknown residue: MOL number: 170 type: Terminal/beginning

You get this because of the problem listed above: you haven't loaded any
residue called "MOL"


p.s. don't forget that you need to get charges for MOL, probably via

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Received on Tue Jan 11 2022 - 20:30:03 PST
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