AMBER Archive (2006)

Subject: AMBER: GBSA of nonstandard cations

From: Martin LEPSIK (martin.lepsik_at_ibs.fr)
Date: Thu Jun 15 2006 - 17:46:16 CDT

Dear AMBER team,
I am trying to run MM-GBSA for systems with nonstandard cations and am
getting an error "Param GBSA does not exists". I assume, the radii (or
other parameters)which are needed are hard-coded in MM-PBSA perl scripts
or SANDER fortran code (I was not able to find where).

Could you please point me toward what parameters ar needed and where to
put it? Or if there is an alternative way?

Looking forward to your replies.

Sincerely,

Martin Lepsik
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