VMD-L Mailing List
From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Mon Aug 11 2014 - 20:13:42 CDT
- Next message: Ryan McGreevy: "Re: MDFF simulations"
- Previous message: Maxim Belkin: "Re: mol new [from memory]"
- In reply to: Luba Simhaev: "MDFF simulations"
- Next in thread: Ryan McGreevy: "Re: MDFF simulations"
- Reply: Ryan McGreevy: "Re: MDFF simulations"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]
Personally, I’d do it the other way around. Desolvate your structure, fit it into the map (either by moving it manually in VMD or using a package like Situs), save your coordinates, re-solvate and go from there.
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of Luba Simhaev
Sent: Monday, 11 August 2014 7:23 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: MDFF simulations
Hello,
I would like to know how can I fit the target density map into the simulated box in a case that they are rotated with respect to each other?
I saw in the tutorial that it's not supported by VMD. Maybe there is another way?
Thanks!
Regards,
Luba
- Next message: Ryan McGreevy: "Re: MDFF simulations"
- Previous message: Maxim Belkin: "Re: mol new [from memory]"
- In reply to: Luba Simhaev: "MDFF simulations"
- Next in thread: Ryan McGreevy: "Re: MDFF simulations"
- Reply: Ryan McGreevy: "Re: MDFF simulations"
- Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]