[gmx-users] for pulling groups

[안세나]

My pull.ppa file is as follows.

 

verbose = no
runtype = afm
group_1 = pull_1
group_2 = pull_2
reference_group = pp_flate
weights_1 = 55.847
reference_weights = 14.0067 14.0067 14.0067 14.0067
weights_2 = 14.0067 1.008 12.011 12.011 12.011 14.0067 1.008 12.011 12.011 14.0067 12.011 15.9994
reftype = com
reflag = 1
pulldim = Y Y Y
afm_rate1 = 0.002
afm_rate2 = 0.001
afm_k1 = 2500
afm_k2 = 2500
afm_init1 = 0.002 0.003 -0.006
afm_init2 = -0.190 -0.429 -0.202
afm_dir1 = 0.231 0.461 -0.857
afm_dir2 = -0.375 -0.845 -0.381

I succeeded mdrun with one pulling group, but I got the error message with two pulling groups like these.
 
Error 1[file, line1]

Unknown left-hand ‘group_2’ in parameter file.

 

Error 2[file, line1]

Unknown left-hand ‘weights_2’ in parameter file

 

Error 3[file, line1]

Unknown left-hand ‘afm_k2’ in parameter file

 

Error 4[file, line1]

Unknown left-hand ‘afm_dir2’ in parameter file

 

Error 5[file, line1]

Unknown left-hand ‘afm_init2’ in parameter file

 

Error 6[file, line1]

Unknown left-hand ‘afm_rate2’ in parameter file

 

I contained two pulling groups in the pull.ppa file.

I wonder what the above error messages are from. I think Gromacs does not recognize  the second pulling group, right??
 
I will wait for your fast reply.

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