AMBER Archive (2008)

Subject: Re: AMBER: solvate with methanol

From: Rita Cassia (
Date: Tue Mar 11 2008 - 07:33:46 CDT

Hello Santanu,

maybe I didnīt understand correctly what do you mean with "suggestions". What I can write is, after opening xleap, you load the frcmod-, lib- and mol2- files of your system. Then you make a unit ("XX" = copy yyy.mol2; edit "XX") and then you solvate your system

solvatebox XX MEOHBOX (buffer) . In the Antechamber User Manual you can find more about buffer/closeness.

saveamberparm XX XX.prmtop XX.inpcrd.

I hope it can help a bit.



-------- Original-Nachricht --------
> Datum: Tue, 11 Mar 2008 10:23:40 +0100
> Von: "san_amber roy" <>
> An:
> Betreff: AMBER: solvate with methanol

> Dear amber users,
> I am using amber8 and I want to
> solvate one model system with methanol solvatebox. Can you give some
> suggestions regarding this?
> Thanks in advance,
> Santanu

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