[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS

2018-07-26 Thread Геннадий Макаров
Dear GROMACS users and developers, I have problem with xdrfile library during reading *.xtc from python scripts. A month ago operating system of collectively used computer was upgraded from Ubuntu 12.04 LTS to Ubuntu 18.04 LTS. Since this, xdrfile library do not work even it was re-compiled. 

[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS

2018-07-25 Thread Геннадий Макаров
Dear GROMACS users and developers, I have problem with xdrfile library during reading *.xtc from python scripts. A month ago operating system of collectively used computer was upgraded from Ubuntu 12.04 LTS to Ubuntu 18.04 LTS. Since this, xdrfile library do not work even it was re-compiled. 

[gmx-users] xdrfile library problem on Ubuntu 18.04 LTS

2018-07-18 Thread Геннадий Макаров
Dear GROMACS users and developers, I have problem with xdrfile library during reading *.xtc from python scripts. A month ago operating system of collectively used computer was upgraded from Ubuntu 12.04 LTS to Ubuntu 18.04 LTS. Since this, xdrfile library do not work even it was re-compiled. 

[gmx-users] Usage of position restraint during FEP calculation

2017-06-06 Thread Геннадий Макаров
this affect? Shall I use six force constants for every position restraint statement in my FEP topology instead of three in usual one? -- Геннадий Макаров -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting