Re: Sulphate Ion Parameters

From: Arturas Ziemys (ziemys_at_chbmeng.ohio-state.edu)
Date: Thu May 17 2007 - 08:42:09 CDT

Hi,

There was the paper published I saw (do not remember when - but PROBABLY 2006-2007) about sulphuric acid parametrization. That could help.

Arturas

>-----Original Message-----
>From: Maria Bagonis [mailto:maria.bagonis_at_univ.ox.ac.uk]
>Sent: Thursday, May 17, 2007 12:47 PM
>To: namd-l_at_ks.uiuc.edu
>Subject: namd-l: Sulphate Ion Parameters
>
>Do any of you by any chance have the parameters and topology files for a
>sulphate ion in CHARMM format? I am going to do the calculations myself as well,
>but given that I'm a novice I'd like to have something to compare.
>
>Best Regards,
>Maria
>

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