CCL: GROMACS PROGRAM

[Jon Fuller <fbsjf-x-leeds.ac.uk>]

 Dear Claudia,

The best place to ask this question is probably the Gromacs users mailing list. Although you should search the list first based on simulating a ligand/small-molecule/compound in water. I am pretty certain that a variant on this question will have been asked before.

Best,

Jon

On 23 June 2010 15:47, Claudia ------------- Escobar iqclaudia_428^_^hotmail.com <owner-chemistry]-[ccl.net> wrote:

Sent to CCL by: "Claudia  ------------- Escobar" [iqclaudia_428/./hotmail.com]
Dear all:

I'm trying to make a run on GROMACS (molecular dynamics) but the system I have is an aldehyde with alcohol. This program comes with tutorials only protein and water as a solvent. Someone could help me. Thank you very much



Claudia Escobar

UTN-FRRE



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