[gmx-users] Re: Problem with minimizing the energy of the solvated system

[jonas87]

Protein-water.pdb has the following line:
CRYST1   75.324   75.324   75.324  60.00  60.00  90.00 P 1           1

But after adding the NA/CL ions with genion the CRYST1 line is missing
entirely from the output file protein-solvated.pdb
Could this be because of the bug u mentioned?
I'm using the latest version of gromacs, that means this bug was
reintroduced?
So it is ok to always output to .gro instead of .pdb?

regards

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