[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,


This message is subject to http://www.hw.ac.uk/disclaim.htm 


More information about the gromacs.org_gmx-users mailing list