Re: Fw: Fw: [gmx-users] How to restart the crashed run

2013-09-17 Thread Justin Lemkul
On 9/17/13 5:58 AM, Mahboobeh Eslami wrote: dear mark will all my output write well after restart and are their names md? will old my output reconstruct or will generate new output? The default behavior of mdrun is to append to existing files. Otherwise, you can use -noappend to get a new

Fw: Fw: [gmx-users] How to restart the crashed run

2013-09-17 Thread Mahboobeh Eslami
: Fw: [gmx-users] How to restart the crashed run dear mark thank you so much Good luck - Forwarded Message - From: Mark Abraham To: Mahboobeh Eslami ; Discussion list for GROMACS users Sent: Tuesday, September 17, 2013 1:21 PM Subject: Re: Fw: [gmx-users] How to restart the c

Fw: Fw: [gmx-users] How to restart the crashed run

2013-09-17 Thread Mahboobeh Eslami
dear mark thank you so much Good luck - Forwarded Message - From: Mark Abraham To: Mahboobeh Eslami ; Discussion list for GROMACS users Sent: Tuesday, September 17, 2013 1:21 PM Subject: Re: Fw: [gmx-users] How to restart the crashed run mdrun -v -deffnm md -cpi md IIRC the

Re: Fw: [gmx-users] How to restart the crashed run

2013-09-17 Thread Mark Abraham
mdrun -v -deffnm md -cpi md IIRC the -cpi file is immune from -deffnm Mark On Tue, Sep 17, 2013 at 4:48 AM, Mahboobeh Eslami wrote: > dear mark > > yes i do > my comment for md run was following > > > mdrun -v -deffnm md >& md.job & > > now what comment is true for restart? > I've recently star

Fw: [gmx-users] How to restart the crashed run

2013-09-17 Thread Mahboobeh Eslami
dear mark yes i do my comment for md run was following mdrun -v -deffnm md >& md.job & now what comment is true for restart?  I've recently started working with the gromacs and i am not professional thank you and best wishes for you - Forwarded Message - From: Mark Abraham To: Mahboo