VMD-L Mailing List
From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Fri May 27 2016 - 11:10:05 CDT
- Next message: Chitrak Gupta: "Re: Wrapping problem"
- Previous message: Chitrak Gupta: "Re: defining/updating atom selection within loop"
- Next in thread: Chitrak Gupta: "Re: Wrapping problem"
- Reply: Chitrak Gupta: "Re: Wrapping problem"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Dear All!
I have run a simulation in NAMD using "wrapAll on". I'm simulating a
complex of three chains.
In one simulation (out of 14) I get large jumps, such as these
<https://gfycat.com/CapitalHollowAmmonite> (link to movie)
<https://gfycat.com/CapitalHollowAmmonite>:
I have tried "pbc unwrap", "pbc wrap" and "pbc join", but Ihave yet to find
the right combination of these command to correctly unwrap all three chains--001a1134f436d435990533d523b3--
- Next message: Chitrak Gupta: "Re: Wrapping problem"
- Previous message: Chitrak Gupta: "Re: defining/updating atom selection within loop"
- Next in thread: Chitrak Gupta: "Re: Wrapping problem"
- Reply: Chitrak Gupta: "Re: Wrapping problem"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]