subject:"\[gmx\-users\] QM\/MM cpmd"

Re: [gmx-users] QM/MM cpmd

2008-02-04 Thread Marius Retegan

Please give us more detail about your problem. Try posting the input files for you calculation. Did you test the to programs independently? On Feb 3, 2008 2:29 PM, <[EMAIL PROTECTED]> wrote: > Hi, I'm trying to use the CPMD/GROMACS qm-mm interface but when i try to > run one of the example h20 di

[gmx-users] QM/MM cpmd

2008-02-03 Thread jacopo . sgrignani

Hi, I'm trying to use the CPMD/GROMACS qm-mm interface but when i try to run one of the example h20 dimer i can get this error: Fatal error: CPMD calculation only supported with CPMD. Does anybody help me? thanks Jacopo ___ gmx-users mailing listg