jitrayut,
Hi. residue-based decomposition currently only works with GB, which means
that you only put 1 at DC, GB and MM and leave others out as 0.
Hope it helps.
Regards,
Vanessa
On 1/23/07, Ray Luo <rluo.uci.edu> wrote:
>
> Jitrayut,
>
> This is correct. It is not very straight forward to decompose PB energy
> into
> residue/group-based components as in GB.
>
> Ray
>
> ==========================================
> Ray Luo, Ph.D.
> Dept Molecular Biology & Biochemistry
> University of California, Irvine, CA 92697
> USPS: PO Box 3900
> Phone: (949) 824-9528
> Email: rluo.uci.edu
> Web: http://rayl0.bio.uci.edu/
> ==========================================
>
>
> -----Original Message-----
> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
> Of
> jitrayut jitonnom
> Sent: Monday, January 22, 2007 6:21 AM
> To: amber.scripps.edu
> Subject: AMBER: Can't run decompose energy in MM-PBSA
>
> Dear amber users,
>
> I can't run decompose energy in MM-PBSA. The last output shown this
> errors. It's sound like MM-PBSA can't run decompose energy ?
>
> =>> Checking sanity
> Checking GENERAL
> Energy decomp is not (yet) possible with GC, AS, NM, PB, MS
> Any suggestions will nice,
>
> Thanks
>
> Jitrayut
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Received on Wed Jan 24 2007 - 06:07:29 PST
