[gmx-developers] SHAKE and pbc=full

leafyoung81-group at yahoo.com leafyoung81-group at yahoo.com
Thu Sep 8 20:19:37 CEST 2005


hi, Berk

There were a lot of exchange with David on users list.
In the end, I have to opt for trying coding for this
missing piece.

May I have some guidance from you for implementing
SHAKE for pbc=full?

Thanks.

Yang Ye



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