Dear Users,
I want to put distance restraint before minimization between two atoms. I
was searching in the manual and archive and found following two ways.
Which one is more appropriate?
How to include them in "min.in" file? It's not clear to me.
Thanks in advance for your help.
With best regards,
Sunita
------------------------
# Change distance between atoms 485 and 134 from 15 A to 20 A
&rst iat=485,134, r2=15., rk2 = 5000., r2a=20. /
---------------------------
&rst
ixpk= 0, nxpk= 0, iat= 10, 27, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
rk2=0.0, rk3=32.0, ir6=1, ialtd=0,
&end
#
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Received on Sat Mar 02 2019 - 04:30:02 PST
