[gmx-users] g_wham to support 3 dimension?

Hwankyu Lee leehk at umich.edu
Sat Jan 7 17:00:19 CET 2006

Dear gmx-users,

I'm trying to do umbrella sampling with the distance restraint between 
COMs of two helix peptides.  I guess it can be done by using ppa file 
below.  Then, I got three dimensional output, but g_wham can only 
support one dimension.  Is there any version of g_wham to support pdo 
file having three dimensional output ?    Or, is there any way I can do 
runtype = umbrella
group_1 = KID2
pulldim = Y Y Y
reference_group KID4
reftype = COM
k1 = 10000
pos1 = 1 0 0
I appreciate your help in advance.


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