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Re: [ESPResSo-users] Coloring in VMD
From: |
Axel Arnold |
Subject: |
Re: [ESPResSo-users] Coloring in VMD |
Date: |
Sat, 24 May 2014 10:37:50 +0200 |
User-agent: |
Mozilla/5.0 (Macintosh; Intel Mac OS X 10.9; rv:24.0) Gecko/20100101 Thunderbird/24.5.0 |
Dear Narges,
Espresso 3.2.0 uses vtf rather than PDB for communication with VMD.
Therefore, SegName is no longer used, but just Type or Name. Type just
gives the type number from Espresso.
However, the vtf plugin in VMD has a bug, which cannot handle charges
correctly and wipes the type and name information. So, if your systems
are charged, you either need to switch to the latest development
release, or use the workaround option "ignore_charges" to
prepare_vmd_connection.
Best regards,
Axel
On 24.05.14 08:18, Narges Nikoofard wrote:
Dear all,
I have two types (0 and 1) of particles in my system. I use these
lines to visualize my system in VMD:
prepare_vmd_connection aaa 3000
exec sleep 4
imd positions
Unfortunately, the two types of particles are colored the same in VMD.
I use version 3.2.0 of ESPResSo.
I have checked Graphics --> Representations --> Coloring Method: SegName
I would be grateful, if someone could kindly help me.
Many thanks in advance,
Narges Nikoofard
--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609