AMBER Archive (2008)

Subject: Re: AMBER: DMSOBOX

From: Panwang Zhou (pwzhou_at_dicp.ac.cn)
Date: Wed Jul 30 2008 - 02:31:53 CDT

jacopo.sgrignani

        you should use the following commands:

        loadamberparams frcmd.dmso
        loadoff dmsobox.off

======= 2008-07-30 15:10:23 您在来信中写道：=======

>Dear All
>I'm trying to load the DMSO paramters (I dowloaded them from
>http://www.pharmacy.manchester.ac.uk/bryce/amber#box), using the
>command loadoff frcmod.dmso.
>Typing list i can see an object named d that is an unit of DMSO, but
>I'm not able to solvate my peptide.
>Is there a procedure to use these paramters as solventbox.
>Thanks
>
>Jacopo
>
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=====================================================
Panwang Zhou
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences.
Tel: 0411-84379195 Fax: 0411-84675584
2008-07-30
=====================================================


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