AMBER Archive (2008)

Subject: AMBER: tip3p water and shake

From: Wang,Ying (wangying_at_ufl.edu)
Date: Wed Jun 18 2008 - 15:07:13 CDT

Dear all,
If I perform a simulation in explicit solution, like tip3p
waterbox, could I turn off shake? because manual say that tip3p
water like a rigid triangle but if turn off shake the bond length
involve hydrogen will be changed. So I'm worried about that and
ask you. Thank you very much!

Best,

Ying

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