AMBER Archive (2009)

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

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Tue Aug 18 2009 - 19:05:19 CDT


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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