question about mm_pbsa?

From: Lishan Yao <>
Date: Tue, 18 Mar 2003 15:00:46 -0500 (EST)

   I changed IGB=1, then I get new error:

bad atom type: c3

   c3 is atom type used in gaff force field. But the program can not identify
it. It's kind of strange.


> Hi,
> as it says in the manual, the IDECOMP variable in sander is meant to be
> set by the mm_pbsa script (if DC=1 and according to DCTYPE in the
> .DECOMP section in The error message below occurs because
> decomposition only works in the case of GB models (i.e. IGB must be > 0
> in
> Best regards
> Holger
> > I try to decompose the energies for my MD result by using mm_pbsa. But

> > stops, and I get this information from the sander output.
> >
> > IDECOMP is not compatible with EWALD
Received on Tue Mar 18 2003 - 20:53:01 PST
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