Re: Sulphate Ion Parameters

From: Arturas Ziemys (
Date: Thu May 17 2007 - 08:42:09 CDT


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


>-----Original Message-----
>From: Maria Bagonis []
>Sent: Thursday, May 17, 2007 12:47 PM
>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,

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