('binary' encoding is not supported, stored as-is)
I'm trying to run MM_PBSA in Amber 7. I get the following error message:
Can't use an undefined value as an ARRAY reference at
/usr/local/amber7/src/mm_pbsa/mm_pbsa_statistics.pm line 1234.
I don't know if this is due to something I input or if there is some
other problem. My input is shown below.
Furthermore, I was also wondering if SURFTEN and SURFOFF need to be
changed and how I would go about deciding what value is "correct". Also,
I just copied the atmtypenumbers from the mm_pbsa folder as is. Are these
numbers general or case specific?
Best Regards,
Armin
################################################################################
.GENERAL
PREFIX test
PATH ./
#
COMPLEX 1
RECEPTOR 0
LIGAND 0
#
COMPT ./mans.prmtop
RECPT
LIGPT
#
GC 0
AS 0
DC 0
#
MM 1
GB 1
PB 0
MS 1
#
NM 0
#
################################################################################
.GB
#
IGB 1
SALTCON 0.00
EXTDIEL 80.0
#
SURFTEN 0.0072
SURFOFF 0.00
#
################################################################################
.MS
#
PROBE 1.4
RADII ./atmtypenumbers
#
#################################################################################
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Received on Mon Jul 11 2005 - 17:53:00 PDT
