Hello,back in gromacs versions 3.x.x there was the ability to simulate
(polymer) crystals by enabling the option pbc = full in the mdp file.That way
someone was avoiding the inconsistent shifts message and was able to simulate
infinite systems.My question is: now in gromacs versions 4.0 and on, is this
feature abandoned? The screw option, which is new, I do not think that replaces
the full option. The full option is no longer selectable. Is there any other
way? Or in order to use the files we were using we have to stick with older
versions?Yours Sincerely,Nikos
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