Gromacs

v5.0.7

    Table of contents
    1. 1. Version 5.0.7

    Version as of 12:18, 16 Sep 2019

    to this version.

    Return to Version archive.

    View current version

    Version 5.0.7

    • Fixed FindFFTW behaviour with upcoming FFTW 3.3.5. Added detection support for some other SIMD-support symbols that are present in the FFTW repo for upcoming hardware. #1809
    • Fixed a bug in computational electrophysiology with DD. Non-master ranks did not correctly compute the center of "broken" water molecules chosen for position exchanges. This would lead to a crash soon after such a water was exchanged with an ion.
    • Fixed bug in the computation of Coefficient of Thermal Expansion.
    • Fixed possible integer overflow in analysis of long simulations in gmx_wham.
    • Fixed segmentation fault in gmx chi with custom residues. #1802
    • Made it easier to find selection help #1805
    • Fix docs of ftypes of dihedrals The ftype indices for restricted dihedrals and combined bending-torsion interactions were documented the wrong way around. #1796
    • Fix possible linking of libxml2 to zlib.
    • Stopped mdrun printing potentially undefined pressure value.
    Page last modified 14:09, 14 Oct 2015 by mabraham