CHARMM parameters for H2S

From: Raul Araya (arayasecchi_at_gmail.com)
Date: Fri Jul 18 2008 - 17:51:50 CDT

Dear NAMD users:

Iam planning to perform som MD simulations that involve the use of Hydrogen
sulfide.
I wanto to know some things:
1) Can one use some parameter already in the charrm top and par files to
create the H2S molecule?
2) If the answer to 1 is NO...are there some H2S parameters avaliable or
some one who will like to share them?
3) Can any one give me some help about how should I parametrize the H2S
molecule by myself?

Thanks

Raul Araya Secchi.
Centre for Bioinformatics.
Universidad Catolica de Chile.
Santiago - Chile.

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