VMD-L Mailing List
From: Eric Lovejoy (Eric_Lovejoy_at_umit.maine.edu)
Date: Sat Oct 20 2012 - 16:44:13 CDT
- Next message: Ijäs Mari: "Visualizing phonon displacement patterns from axsf format forces?"
- Previous message: Jose Borreguero: "VMD (and NAMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags)"
- Next in thread: John Stone: "Re: calculate end-to-end distance with trajectory files"
- Reply: John Stone: "Re: calculate end-to-end distance with trajectory files"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hi all,
I should have included the end to end distance in my calculation but I did not. The calculation took several months to compute, so I don't want to recalculate. How can I get the end to end distance using the *.dcd trajectory files? I have several
calculations where I forgot to compute the to end distance. Is there something that can do it automatically in vmd? What is the command? I am using a Linux based VMD if it matters.
- Next message: Ijäs Mari: "Visualizing phonon displacement patterns from axsf format forces?"
- Previous message: Jose Borreguero: "VMD (and NAMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags)"
- Next in thread: John Stone: "Re: calculate end-to-end distance with trajectory files"
- Reply: John Stone: "Re: calculate end-to-end distance with trajectory files"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]