[gmx-users] Umbrella samling
mn2 at hw.ac.uk
mn2 at hw.ac.uk
Wed Mar 23 20:53:33 CET 2005
Hi All,
I have been trying to apply harmonic potential in solvent using pull code.
I am getting following error:
Fatal error: Can't find group in the index file
I created index file by make_ndx using option 12 for water and my pull.ppa
file contains:
verbose = no
runtype = umbrella
group_1 = HOH
reftpe = com_t0
reflag =1
pulldim = N N Y
k1 = 2.5
I must be missing something along the line. could you please any help out?
With best regards,
Abu
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