[gmx-users] pull code with defined negative relative displacements

chris.neale at utoronto.ca chris.neale at utoronto.ca
Sun Nov 15 18:33:30 CET 2009

> I only now noticed Justin mail on g_wham.
> You can probably also use pull_geometry=distance and pull_init=1,
> if you starting structure has group1 close to 1 nm below group 0.

Agreed, although this will not work when the force constant is not  
strong enough to inhibit any sampling >0 -- wherein the distribution  
about 0 would become bimodal and this is something that I can not allow.

As far as I can tell, pull_geometry=position, pull_init1<0, and  
pull_vec1=0 0 0 is the solution, as per my previous message.

Thank you,

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