Hi, I try to run a md with belly after equilibrium and
minimization. Here is my input.
cold start belly equil
&cntrl
IREST = 0, ibelly= 1,
NTX = 5, TEMPI = 0.0,
NTB = 0,
NTT = 1, TEMP0 = 298.0, TAUTP = 1,
DTEMP = 2.0, NTP = 0,
NSTLIM= 100000,dt=0.002
NTC = 2,
NTF = 2,
CUT =999.0,
NTPR = 50, NTWX = 20,
&end
-- belly = residues 15A from AcO res 236 plus all H2O
RES 2 2
RES 4 4
...
I found the following error. I try to run it with
amber 7 in both linux (200MB) and sgi machines
(512MB). It gives similar results as following.
Static Integer Memory requirement of: 2516602
exceeds MAXINT of 2000000
| Memory Use Allocated Used
| Real 2000000 277810
| Hollerith 400000 26133
| Integer 2000000 2516602
| Max Nonbonded Pairs: 5400000
** Redimension and recompile
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Received on Sun Jun 09 2002 - 15:55:47 PDT
