Re: [gmx-users] About Checkpoint error in gromacs 4.6

2013-06-02 Thread Mark Abraham
-append is the default behaviour. You can turn it off. But you can't turn it off and have behaviour like it is on. You will need to deal with your file size problem yourself by concatenating files later on, if you need to. Mark On Sun, Jun 2, 2013 at 6:14 AM, vidhya sankar wrote: > > > Deat Jus

[gmx-users] About Checkpoint error in gromacs 4.6

2013-06-01 Thread vidhya sankar
Deat Justin Thank you for your Previuos Reply,                                                                     But When I Run tne the following command with Append Option mdrun_d  -s CNTPEPRSOLNPT.tpr  -cpi CNTPEPRSOLNPT_prev.cpt  -v -nt 8 -deffnm CNTPEPRSOLNPT -append I Have got

Re: [gmx-users] About Checkpoint error in gromacs 4.6

2013-06-01 Thread Justin Lemkul
On 6/1/13 9:51 PM, vidhya sankar wrote: Respected Erik Marklund, Thank you for your reply When i run with a -noappend option from the checkpoint it runs well but Ooutput files are in Different Names The files Are not merged (are not Continues) P

[gmx-users] About Checkpoint error in gromacs 4.6

2013-06-01 Thread vidhya sankar
Respected Erik Marklund,   Thank you for your reply When i run with a  -noappend option from the checkpoint it runs well but Ooutput files are in Different Names The files Are not merged (are not Continues) ./mdrun_d  -s CNTPEPRSOLNPT.tpr  -cpi CNTPEP

Re: [gmx-users] About Checkpoint error in gromacs 4.6

2013-06-01 Thread Erik Marklund
How about running with -noappend? On 1 Jun 2013, at 13:59, vidhya sankar wrote: > Dear Justin Thank you for your previuos reply > I am > using gromacs 4.6 AMD 8 core processor > > When I run restart My run from the Checkpoi

[gmx-users] About Checkpoint error in gromacs 4.6

2013-06-01 Thread vidhya sankar
Dear Justin Thank you for your previuos reply   I am using gromacs 4.6 AMD 8 core processor When I run restart My run  from the Checkpoint file using the following error ./mdrun_d  -s CNTPEPRSOLNPT.tpr  -cpi CNTPEPRSOLNPT_prev.c