[gmx-users] Re: QMMM memory problem

Date: Thu, 3 Jul 2008 13:37:42 -0700 (PDT) From: Alcides Nicastro <[EMAIL PROTECTED]> Subject: Re: [gmx-users] Re: QMMM memory problem To: Discussion list for GROMACS users Message-ID: <[EMAIL PROTECTED]> Content-Type: text/plain; charset="utf-8" Yes. The system is a methane m

Re: [gmx-users] Re: QMMM memory problem

        = yes QMMM-grps    = ME QMMMscheme    = normal QMmethod    = RHF QMbasis        = STO-3G QMcharge    = 0 Thanks, Alcides --- El jue 3-jul-08, ggroenh <[EMAIL PROTECTED]> escribió: De: ggroenh <[EMAIL PROTECTED]> Asunto: [gmx-users] Re: QMMM memory problem Para: gmx-users@gromacs.org F

[gmx-users] Re: QMMM memory problem

Could you privide more specific info about what system you ran, which gromacs version, and how gromacs was configured? Gerrit Hello all: I'm tryng to perform a QM/MM simulation and the following error arises inmediatly: " number of CPUs for gaussian = 1 memory for gaussian = 5000 a