try:
restraintmask=':1-294, 333-429, 449-531, 552-642, 684-782, 818-916,
940-1018, 1037-1133, 1172-1268'
adrian
On 9/2/19 12:22 PM, Parviz Seifpanahi Shabane wrote:
> 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
--
Dr. Adrian E. Roitberg
University of Florida Research Foundation Professor
Department of Chemistry
University of Florida
roitberg.ufl.edu
352-392-6972
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Received on Mon Sep 02 2019 - 09:30:02 PDT
