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

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 19 Aug 2009 01:05:19 +0100

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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Received on Wed Aug 19 2009 - 23:28:57 PDT