Re: [AMBER] [EXTERNAL] addions

From: Smith, Micholas D. <>
Date: Wed, 6 May 2020 17:18:27 +0000

Be careful adding 1M of any salt. Force-field parameters tend to have issues as you increase salt concentration.

(see: for instance)


-----Original Message-----
From: Jisha B <>
Sent: Wednesday, May 6, 2020 11:55 AM
Subject: [EXTERNAL] [AMBER] addions

Dear all,
 I have this system where I need to add the counterions of Na+ and the salt of 1M NaCl according to a protocol.

I am aware of how to add Na+ using "addions cc Na+ 0" command in tleap. But I have no idea how to add the salt part. How to do that? Could someone guide me on this? I am a beginner.

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Received on Wed May 06 2020 - 10:30:02 PDT
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