VMD-L Mailing List
From: DimitryASuplatov (genesup_at_gmail.com)
Date: Sat May 23 2009 - 11:11:09 CDT
- Next message: zizi moradi: "solvent accessible surface area"
- Previous message: Peter Freddolino: "Re: Operations with MD frames - acquiring time infromation"
- Next in thread: John Stone: "Re: Offset for frame ids in dcd trajectory"
- Reply: John Stone: "Re: Offset for frame ids in dcd trajectory"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Hello,
I have a psf file, and a dcd trajectory.
1/ If I run
catdcd -num dcd
I have the following output
Read 2140 frames from file 1dwo.md.dcd.
Total frames: 2140
If I use catdcd to read frames from -first 0 to -last 0 I get null
output. To my understanding that means that frame numbering starts from
1.
2/ If I run vmd, load psf, then dcd, then run
set nf [ molinfo top get numframes]
I get
nf=2140, but I cat start selecting frames from 0, that is
set frame0 [atomselect top "protein and backbone and noh" frame 0] -
shall work
==============================================================
Question:
How could you explain an extra frame in dcd trajectory when using vmd?
Thank you for your time.
- Next message: zizi moradi: "solvent accessible surface area"
- Previous message: Peter Freddolino: "Re: Operations with MD frames - acquiring time infromation"
- Next in thread: John Stone: "Re: Offset for frame ids in dcd trajectory"
- Reply: John Stone: "Re: Offset for frame ids in dcd trajectory"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]