[gmx-users] Pulling in opposite directions

[Saumyak Mukherjee]

Dear users,

I would like to perform an umbrella sampling by pulling two metal ions (two
pull groups) away from protein (reference group) in opposite directions. I
could restrain the positions of protein atoms (reference group) and then
perform the pulling simulation. But how do I ensure that one ion will move
in +Z direction, while the other in -Z direction?

Any help/suggestion is most welcome.

Thanks and regards,
Saumyak

-- 
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*Saumyak Mukherjee*

Junior Research Fellow
Prof. Biman Bagchi's Group
Solid State and Structural Chemistry Unit
Indian Institute of Science
Bangalore - 560012

Mob : 8017292426
Alternative e-mail : saumyakmukherjee at gmail.com
                                smukherjee at sscu.iisc.ernet.in
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