[gmx-users] gromacs-4.5.5 cpmd QM/MM versions

2013-08-13 Thread tarak karmakar
Dear All, I am planning to perform a QM/MM calculation of my protein system. Can anybody suggest me whether gromacs-4.5.5 can be patched with any latest version of CPMD? If not, then please suggest me some combination of the gromacs-cpmd versions. I came across this tutorial, but there, both groma

[gmx-users] gromacs-4.5.5 CPMD QM/MM

2013-08-09 Thread tarak karmakar
Dear All, I am planning to perform a QM/MM calculation of my protein system. Can anybody suggest me whether gromacs-4.5.5 can be patched with any latest version of CPMD? If not, then please suggest me some combination of the gromacs-cpmd versions. I came across this tutorial, but there, both groma