Benjamin Woiczikowski a écrit :
Hi,
I simulate DNA molecules in water with counterions. To keep the DNA in the
middle of the box I had the following options in the input file:
comm_mode = angular
comm_grps=dna
I think this question has been already addressed for proteins. Anyway,
removing the COM motions of only one component of your system is very
probably a bad idea. You should rather use position restraints. If you
look in the mailing-list or the manual, you will quickly find how to do
that.
Regards,
Nicolas
For the old version (3.3.2) it worked but now (4.0.2) there are warnings and
at the end the DNA doens't stay in the middle of the box.
Can somebody help?
Regards,
Ben
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fn:Nicolas Sapay
n:Sapay;Nicolas
org:University of Calgary;Biological department
adr:;;2500 University drive NW;Calgary;AB;T2N 1N4;Canada
email;internet:[EMAIL PROTECTED]
title:Post-doctoral fellow
tel;work:403-220-6869
x-mozilla-html:TRUE
url:http://moose.bio.ucalgary.ca/
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