Re: [gmx-users] Error when extending simulation

2013-03-05 Thread sebastian
On 03/05/2013 03:50 PM, Mark Abraham wrote: ... and your GROMACS version! 4.6 running on nodes with NVIDIA Keppler K10 and Intel E5 CPU Mark On Tue, Mar 5, 2013 at 3:11 PM, Justin Lemkul wrote: On 3/5/13 4:41 AM, sebastian wrote: On 03/04/2013 09:47 AM, sebastian wrote:

Re: [gmx-users] Error when extending simulation

2013-03-05 Thread Mark Abraham
... and your GROMACS version! Mark On Tue, Mar 5, 2013 at 3:11 PM, Justin Lemkul wrote: > > > On 3/5/13 4:41 AM, sebastian wrote: > >> On 03/04/2013 09:47 AM, sebastian wrote: >> >>> Hi Gromacs user, >>> >>> when I try to extend on of my simulations with >>> >>> mdrun -deffnm pdz_cis_NVT_disre_

Re: [gmx-users] Error when extending simulation

2013-03-05 Thread Justin Lemkul
On 3/5/13 4:41 AM, sebastian wrote: On 03/04/2013 09:47 AM, sebastian wrote: Hi Gromacs user, when I try to extend on of my simulations with mdrun -deffnm pdz_cis_NVT_disre_equi_3 -cpi pdz_cis_NVT_disre_equi_3.cpt -append I get the following error Fatal error: Count mismatch for state e

Re: [gmx-users] Error when extending simulation

2013-03-05 Thread sebastian
On 03/04/2013 09:47 AM, sebastian wrote: Hi Gromacs user, when I try to extend on of my simulations with mdrun -deffnm pdz_cis_NVT_disre_equi_3 -cpi pdz_cis_NVT_disre_equi_3.cpt -append I get the following error Fatal error: Count mismatch for state entry disre_rm3tav, code count is 0, fi

[gmx-users] Error when extending simulation

2013-03-04 Thread sebastian
Hi Gromacs user, when I try to extend on of my simulations with mdrun -deffnm pdz_cis_NVT_disre_equi_3 -cpi pdz_cis_NVT_disre_equi_3.cpt -append I get the following error Fatal error: Count mismatch for state entry disre_rm3tav, code count is 0, file count is 13 and have no idea whats w