[gmx-users] GROMACS 4.6.4 vs GROMACS 5.1.2

amitbehra at chemeng.iisc.ernet.in amitbehra at chemeng.iisc.ernet.in
Tue Jan 17 17:32:54 CET 2017

Is there any major changes from version 4.* to 5.* that affects the
stability of the a protein-lipid system ?
I have been using GROMACS 5.1.2 but recently I got to know that GROMACS
5.1.* has some changes which affects long range LJ calculations which was
not there in GROMACS 4.* .
Can anyone help me out of this dilemma of which version is more accurate
to simulate a trans-membrane helical protein?

Amit Behera
Research Scholar

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