Dear Amber Users,
I am trying to run TI initial minimization but got encountered with *error
in reading namelist cntrl.*
My input file is as follows:
*Minimization&cntrl imin = 1,
ntpr = 10, ntwr = 0, ntwx = 0,
ntf = 1, ntc = 2,
ntb = 2, cut = 9.0,
maxcyc = 500, ntmin = 2, ntp =
1, pres0 = 1.0, taup = 2.0,
icfe=1, clambda = 0.50000, ifsc=1, scmask=':1', / &ewald /*
Kindly help me in this regard.
Thanks in advance
--
with best regards,
Airy Sanjeev, PhD
Post Doctoral Fellow
Indian Institute of Technology Guwahati, Guwahati
Assam-781039, India
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Received on Thu Nov 21 2019 - 22:30:01 PST