[gmx-users] Re: Problem with minimizing the energy of the solvated system
jonas_dehairs at hotmail.com
Thu Jul 5 23:51:47 CEST 2012
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
So it is ok to always output to .gro instead of .pdb?
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