[gmx-users] "freezegrps" concept
YUVRAJ UBOVEJA
yuvrajthedon at gmail.com
Wed Dec 15 00:53:34 CET 2010
Hello
I am trying to simulate lipase in water in ffamber99sb-ildn. Chosen "cubic"
as box with distance of 1nm b/w solute n box.
Protein is going out of the box after equilibration step. Any solution?
Should i use *freezegrps* option to restrict protein movement. Please
provide some light to this option. What effect it will have on the whole
system?
--
Yuvraj
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