Dear gromacs users,
I met a problem on pulling 2 groups in a afm pulling run. When mdrun
processes input file, error messages such as "unknown left-hand : group_2"
appear for group_2, afm_rate2, afm_k2, afm_dir2 and afm_init2. However, pulling
one group is OK.
My pull.ppa is
verbose = yes
runtype = afm
group_1 = a_TER1
group_2 = a_TER2
pulldim = N N Y
afm_rate1 = 0.01
afm_rate2 = 0.01
afm_k1 = 1000
afm_k2 = 1000
afm_dir1 = 0 0 1
afm_dir2 = 0 0 1
afm_init1 = 13.639 3.264 4.486
afm_init2 = 14.221 3.873 2.790
The group definition in pull.ndx is
[ a_TER1 ]
1136
[ a_TER2 ]
2425
Could anyone tell me what's wrong here? Thanks a lot
Best
regards
Linchen Gong
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