GROMACS version: 2020.1
GROMACS modification: No
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Dear developers of GROMACS
We observe an error in 2020.1:
As you can see in a file of bilayer.gro (it is our initiated file) every thing is OK.
So, after minimization, number of residues are deleted and all residues have only same number. please check bilayer_min.gro.
It happen before and after ion addition as well as before and after index process. I mean, after any minimization we observe this error.
for instance; all LES in column 2 are 1LES after minimization. Also, all SOL in column 2 are 1SOL after minimization and so on.
we have not seen this error in 2018.1 version.
Let us how we can handle this error.
Which version of Ubuntu are you running? I ask because I have been having general problems using the gromacs package in the Ubuntu software repositories on Ubuntu 20.04.1. I have also run into problems with my own personal builds.