[gmx-users] Trajectory optimization - 2 chains are separated

Marwa Abd El Kader ph.marwaabdelkader at gmail.com
Thu Feb 13 19:33:18 CET 2020


Dear gmx-users mailing list team,
I want to know how to fix the separation of 2 chains after the production
run. I'm trying different combinations of trjconv after creating an index
file having a specific residue(s) on the interface between the 2 chains,
but nothing is working. I fixed this issue before but when there was only
one chain, now with 2 chains, I don't know how to rejoin them together
again. Can you suggest me any solution, please?!
*N.B: the 2 chains are considered as one when selected in VMD

Regards,
Marwa


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