Hello all,
Today I wanted to do a trivial task, adding some force field
parameters using an frcmod file. However when loading it in tleap
it sucks up all my memory then crashes (due to lack of memory).
I assume I'm doing something silly.
I'm using AT12 with all patches (up through Nov 13th 2012, JST)
Here is the output:
Loading parameters: ./manual.frcmod
Reading force field modification type file (frcmod)
Reading title:
manual parameters Unused in 3DRISM single point
teLeap(89539) malloc: *** mmap(size=18446744071562072064) failed (error
code=12)
*** error: can't allocate region
*** set a breakpoint in malloc_error_break to debug
!FATAL ERROR----------------------------------------
!FATAL: In file [varArray.c], line 182
!FATAL: Message: Realloc: Cannot allocate memory!
!ABORTING.
Here is the input:
manual parameters Unused in 3DRISM single point
BOND
S -c1 371.80 1.630 Dan added as c1-s
ANGLE
CT-S -c1 39.350 99.900 Dan Same as c1-ss-c3
S -c1-c3 87.500 120.960 Dan angle according to expt
S -c1-o 87.500 123.060 Dan angle according to expt
c3-c1-o 63.070 179.500 Dan same as gaff c2-c1-o
DIHE
CT-S-c1-c3 1 1.100 180.000 -2.000 same as GAFF
c2-c2-ss-c3
CT-S-c1-o 1 1.100 180.000 -2.000 same as GAFF
c2-c2-ss-c3
I appreciate any help.
-Dan
--
Dr. Daniel J. Sindhikara <http://www.dansindhikara.com/Information.html>
Ritsumeikan University <http://www.ritsumei.ac.jp/eng/>
sindhikara.gmail.com <http://www.dansindhikara.com>
--
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 12 2012 - 20:30:02 PST
