[gmx-users] HELP: molecule rotation!
fiorin at sissa.it
Mon May 12 12:41:01 CEST 2003
Hello, I have a problem with one elongated molecule and a box
which fits well, i.e. its x,y,z dimensions are strongly different.
The molecule however rotates soon, thus losing its alignment with
Letting the box larger (x=y=z) would tremendously and
unnecessarily increase the number of waters.
I tried "comm_mode = Angular" on both System and Protein / Other
groups, but this doesn't work at all!!
How to solve it?
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