From: Shahid Qamar (qamar13_at_hotmail.com)
Date: Tue Jun 21 2005 - 17:56:09 CDT
Hi,
I am trying to minimise my system while to keep the distance between two
atoms fixed.
I use the following commond
urestraint {
dis (D1, 1, N9) (C, 2, C4) kf =20 ref = 5.2
}
but it gives me errorReason:
FATAL ERROR: error parsing config file
while executing
"urestraint{"
(file "cminres.txt" line 103)
Any idea how i can use these commands. What is wront i am doing in here.
I just want a script which helps to keep the distance between 2 atoms fixed.
thanks
Sq
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