Re: [gmx-users] restart nvt run

2018-02-04 Thread farial tavakoli
blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px #715FFA solid !important; padding-left:1ex !important; background-color:white !important; } Dear Justin Thank you so so much for your reply Best regardsFarial Sent from Yahoo Mail for iPhone On Sunday, February 4,

Re: [gmx-users] restart nvt run

2018-02-04 Thread Justin Lemkul
On 2/4/18 8:50 AM, farial tavakoli wrote: Dear Justin Thank you so much for replying  I dont know exactly how I should use gmx trjcat command to concatenate 2 .trr files (nvt.trr and traj.part0002.trr) I issued this command to merge them: gmx trjcat -f nvt.trr -o fixed.trr -cat but faced

Re: [gmx-users] restart nvt run

2018-02-04 Thread Justin Lemkul
On 2/4/18 5:26 AM, farial tavakoli wrote: Dear GMX users I ran nvt simulation on my complex using gromacs2016.4. But faced to this error:File input/output error: Cannot read/write checkpoint; corrupt file, or maybe you are out of disk space? so I deleted some files to make free space and

[gmx-users] restart nvt run

2018-02-04 Thread farial tavakoli
Dear GMX users I ran nvt simulation on my complex using gromacs2016.4. But faced to this error:File input/output error: Cannot read/write checkpoint; corrupt file, or maybe you are out of disk space? so I deleted some files to make free space and then issued this command to restart the