Hi all
I am running pmemd on amber 11 with cuda it gives the error
CUDA (GPU): Implementation does not support extra points.
Require numextra == 0.
Here is the input file:
2.5ps MD equilibration on protein
&cntrl
imin = 0,
irest = 0,
ntx=1,
ntb=1,
cut = 10,
tempi = 0.0,
temp0 = 5.0,
ntt = 3,
nstlim = 2500, dt = 0.001,
ntpr = 2500, ntwx = 2500, ntwr = 2500
/
what does that mean.
Thanks in anticipation
regards
Ashutosh Shandilya
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Received on Sat Jun 12 2010 - 11:30:08 PDT
