Hi All,
I am using "restraintmask" in my input file (below) and I will get this
error message: "Cannot match namelist object name: 1-294"
======================================================================
Hexosome md
&cntrl
imin = 0, irest=1, ntx=5, ig=-1,
ntc=2, ntf=2,
igb = 5, gbsa = 0,
ntpr = 20000, ntwx = 20000, ntwr=-250000,
ntt = 3, gamma_ln = 0.01,
temp0 = 300.0,
nstlim = 14000000, dt = 0.0018,
cut = 9999.0, ntb = 0, saltcon = 1.0,
ntr=1,
restraint_wt=10.0,
restraintmask=:1-294, 333-429, 449-531, 552-642, 684-782, 818-916,
940-1018, 1037-1133, 1172-1268
/
=========================================================================
What is the probelm?
Best Regards
--
Parviz Seifpanahi
Ph.D. Candidate
Department of Physics
Virginia Tech, Blacksburg, Va 24061
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Received on Mon Sep 02 2019 - 09:30:02 PDT
