Re: [gmx-users] trjcat after trjconv

2013-09-27 Thread Venkat Reddy
Thank you sir. On Fri, Sep 27, 2013 at 11:47 AM, Tsjerk Wassenaar wrote: > Yes. > > Cheers, > > Tsjerk > > > On Fri, Sep 27, 2013 at 7:51 AM, Venkat Reddy wrote: > > > Thanks for the quick reply sir. > > So, does it mean I can apply "trjcat" on the processed xtc files??? > > > > > > On Thu, Sep

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Tsjerk Wassenaar
Yes. Cheers, Tsjerk On Fri, Sep 27, 2013 at 7:51 AM, Venkat Reddy wrote: > Thanks for the quick reply sir. > So, does it mean I can apply "trjcat" on the processed xtc files??? > > > On Thu, Sep 26, 2013 at 10:25 PM, Tsjerk Wassenaar >wrote: > > > Hi Venkat, > > > > These options are 'frame

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Venkat Reddy
Thanks for the quick reply sir. So, does it mean I can apply "trjcat" on the processed xtc files??? On Thu, Sep 26, 2013 at 10:25 PM, Tsjerk Wassenaar wrote: > Hi Venkat, > > These options are 'frame intrinsic' or 'history independent', unlike -pbc > nojump. > > Cheers, > > Tsjerk > > On Sep 26,

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Tsjerk Wassenaar
Hi Venkat, These options are 'frame intrinsic' or 'history independent', unlike -pbc nojump. Cheers, Tsjerk On Sep 26, 2013 6:46 PM, "Venkat Reddy" wrote: Dear Tsjerk sir, I used trjconv -pbc mol -ur compact options. On Thu, Sep 26, 2013 at 9:17 PM, Tsjerk Wassenaar wrote: > Hi Venkat, > >

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Venkat Reddy
Dear Tsjerk sir, I used trjconv -pbc mol -ur compact options. On Thu, Sep 26, 2013 at 9:17 PM, Tsjerk Wassenaar wrote: > Hi Venkat, > > It depends on what you mean with "removing pbc". > > Cheers, > > Tsjerk > > On Sep 26, 2013 5:21 PM, "Venkat Reddy" wrote: > > Dear Sir, > Thanks for the qui

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Tsjerk Wassenaar
Hi Venkat, It depends on what you mean with "removing pbc". Cheers, Tsjerk On Sep 26, 2013 5:21 PM, "Venkat Reddy" wrote: Dear Sir, Thanks for the quick reply. I accidentally lost one of my raw .xtc files. But I have the noPBC xtc file. So, when ever I extend my simulation, first I am removin

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Venkat Reddy
Dear Sir, Thanks for the quick reply. I accidentally lost one of my raw .xtc files. But I have the noPBC xtc file. So, when ever I extend my simulation, first I am removing PBC then concatenating it with existing noPBC xtc file. Is it fine?? On Thu, Sep 26, 2013 at 7:13 PM, Dr. Vitaly Chaban wrot

Re: [gmx-users] trjcat after trjconv

2013-09-26 Thread Dr. Vitaly Chaban
I do not think that I ever tried myself, but is seems all the same. Why do you ask? Dr. Vitaly V. Chaban On Thu, Sep 26, 2013 at 3:40 PM, Venkat Reddy wrote: > Dear all, > I have a basic doubt. Is there any difference between the two processes > where > 1) I concatenate the trajectories and do

[gmx-users] trjcat after trjconv

2013-09-26 Thread Venkat Reddy
Dear all, I have a basic doubt. Is there any difference between the two processes where 1) I concatenate the trajectories and do trjconv to remove PBC, which is a default process 2) Do trjconv on all the xtc files separately and then concatenate them. Thank you for your time -- With Best Wishes