[gmx-users] free energy perturbation

[Jignesh Patel]

Hello,

I am doing free energy perturbation for ethane to methanol conversion. Can
anybody tell me which of the following way is right to define virtual site
for hydrogen?

[ virtual_sites2 ]
  3 2 1 1 0.00

or

[ virtual_sites2 ]
  3 2 1 1 1.00

Thanking you in anticipation.

With regards,
Jignesh
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