[gmx-users] bam.gct
paloureiro at biof.ufrj.br
paloureiro at biof.ufrj.br
Sat Mar 26 17:08:26 CET 2005
Dear users,
I know this subject has already been discussed in this list, but I still have
some questions regarding the syntax of the file .gct.
For instance,
Couple To i-type j-type xi-c6 xi-c12
; j-type == -1 means mixing rules will be applied!
LJ = Pres 0 0 0 1000
LJ = Epot 0 0 -1000 0
I understand one is coupling LJ to pressure and Epot.
But, what "0" and "1000" stand for?
Regards,
Pedro.
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