dear users,
Sander is not accepting the NOSHAKEMASK string that i entered
in the input file.
the input file is:
-------------------------------------------------------------------------------------------------------------
md equilibration for 100ps of energy minimised atpase
&cntrl
imin=0,
ntx=1,
ntpr=100,
ntwx=100,
nstlim=50000,
dt=0.002,
cut=12.0,
ntb=0,
igb=1,
ntt=3, gamma_ln=1.0,
tempi=0.0, temp0=300.0,
ntc=3, ntf=1, jfastw=4,
noshakemask=":2076-2086,2336-2346,2261-2266,1609-1619,1869-1879,1794-1799,
2530-2540,2790-2800,2715-2720,3268-3290,3210-3222",
/
-----------------------------------------------------------------------------------------------------------------------------------
sander is giving the following error in the output file:
------------------------------------------------------------------------
Error in group input::atommask.f::tokenize
illegal symbol in maskstr:
------------------------------------------------------------------------
Can anybody please help me figure out what wrong.
thanx
gobind
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Received on Wed Dec 06 2006 - 06:07:06 PST
