Hi, Gromacs users and developers
Actually, I used distance constraint for each chain.itp file.
(for example, I added following for chainA.itp /chainB.itp/chainC.itp and so on
[distance_restraints]
; i j ? label funct lo up1 up2 weight
155 1762 1 0 2 0 1.834174633
2.834174633 1
174 1128 1 1 2 0 1.948664904
2.948664904 1
………
It was ok for gromacs-5.1.4 for running.
But, in the gromacs-2018.4, it shows following error.
All distance restraint parameter entries in the topology should be consecutive
So, I tried to remove those distance constraint from all the itp file.
Then, it runs well at gromacs-2018.4
And, I put distance restriants to only chainA.itp.
Then, it runs well at gromacs-2018.4
And, additionally, I started to put distance restraint to chainB.itp.
It started to shows the error
All distance restraint parameter entries in the topology should be consecutive
(Maybe it means all the separated each chain distance restriants should be in
the same file. Is it right?? )
I believe gromacs-2018.4 has changed some setting.
I searched this issue in the internet, but I found no answer.
Any suggestion would be needed (urgently).
Sincerely,
Jaewan Jang
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