[gmx-users] About Usage of Restraint
vidhya sankar
scvsankar_agr at yahoo.com
Fri Feb 8 14:52:01 CET 2013
Dear Justin Thank you for your previous Mail Reply
As you Instructed me in the Previous Mail to insert Vertical Restraint
I Have increased Value of fcz to 100000
While Should I make value of fcx and fcy to Zero ? otherwise may i Leave it as such
#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
; i funct fcx fcy fcz
1 1 1000 1000 1000000
#endif
I Have Followed the Following gromacs Hyper link to add vertical z axis Restraint
http://www.gromacs.org/Documentation/How-tos/Position_Restraints
Is My way is correct or Wrong?
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