From: Kodituwakku,Dimuthu Nirmani (dkodituwakku_at_ufl.edu)
Date: Fri Oct 02 2020 - 09:28:13 CDT
Thank you all !
Best,
Dimuthu
________________________________
From: owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of Kodituwakku,Dimuthu Nirmani <dkodituwakku_at_ufl.edu>
Sent: Wednesday, September 30, 2020 11:30 AM
To: namd-l <namd-l_at_ks.uiuc.edu>
Subject: namd-l: renumbering and rewriting a trajectory
[External Email]
Hi all,
I postprocessed a trajectory by renumbering using the following script (vmd/1.9.3) (which I obtained from a previous post),
for {set ires 1} { $ires <= 587 } { incr ires } {
set a [atomselect top "resid $ires and segid 1GPB"]
set newires [expr $ires + 587]
$a set resid $newires
$a delete
}
But I'm having trouble rewriting the trajectory using "animate" keyword, although it writes the trajectory it doesn't change numbering.
Any help would be appreciated,
Thank you,
Best,
Dimuthu
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