Dear anyone who may concern this letter,
When I was using apbs to calculate the eletrostatic binding Energy, I found when:
dime 240 240 240
cglen 120 120 120
fglen 90 90 90
cgcent mol 1
fgcent mol 1
That would be ok, but when I used the script:
dime 240 240 240
there is following errors:
NOsh_setupCalcMGAUTO: Error! Finest mesh has fallen off the coarser meshes!
NOsh_setupCalcMGAUTO: difference in min 1-direction = 0.3355
NOsh_setupCalcMGAUTO: min fine = 32.546 -10.8485 6.95322e-310
NOsh_setupCalcMGAUTO: min coarse = 6.44 -10.513 6.95314e-310
VASSERT: ASSERTION FAILURE! filename nosh.c, line 1581, (0)
Aborted
I want to make the center of my grid as the cernter of the complex (mol1), then on the center of the ligand (mol3). I ever used this approach to calculate some other similar complex, to to this complex it does not work!
Can anyone give me some suggestions?
Rilei Yu
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Received on Fri Oct 02 2009 - 23:00:02 PDT
