AMBER Archive (2009)

Subject: Re: [AMBER] Dimethyl Sulfoxide (DMSO) cartesian coordinates?

From: Jose Borreguero (borreguero_at_gmail.com)
Date: Tue Aug 18 2009 - 17:33:32 CDT

This is great! Thank you so much, Francois

Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
Google-voice: 404-567-6035
Office: 865-241-3071 fax: 865-576-5491
Email: borreguerojm_at_ornl.gov

On Tue, Aug 18, 2009 at 8:05 PM, FyD <fyd_at_q4md-forcefieldtools.org> wrote:

> Dear Jose,
>
> I am trying to use DMSO in my simulations. I obtained frcmod and lib
>> files,
>> but I need the atomic coordinates. Where could I find them?
>>
>
> See for instance:
> http://q4md-forcefieldtools.org/REDDB/projects/W-1/
> http://q4md-forcefieldtools.org/REDDB/projects/W-1/tripos1.mol2
> http://q4md-forcefieldtools.org/REDDB/projects/W-1/mol1.pdb
> up to
> http://q4md-forcefieldtools.org/REDDB/projects/W-4/
>
> regards, Francois
>
>
>
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