It was a good idea to ask! You might want to try the MARTINI forum at
the cgmartini.nl web site, though.
In short the way you did it will probably fill up the box with more
water or antifreeze particle than necessary ...
As an alternative you may want to simply replace 10% of the existing
waters into antifreeze particles. You need to change the name in the
gro files and adapt the topology accordingly. Then an equilibration
will disperse the WF particle pretty fast.
XAvier.
On Dec 13, 2011, at 2:56 PM, mohammad agha wrote:
Dear Prof.
I have a doubt about my way to add antifreeze water to my system,
also I think my question looks silly but please help me for more
certainty.
I changed "W" to "WF" in water.gro file of water that I downloaded
from MARTINI site and named that antifreezewater.gro , and with
below command added antifreeze water to my system:
# genbox -cp -------.gro -cs antifreezewater.gro -o --------.gro -
maxsol 1000
Already I had added water.gro to my system with the same command.
May I know that I am right or wrong and if I'm wrong please say me
the right way?
Thanks
Best Regards
Sara
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