I also would like to try
2013/10/23 Gloria Saracino glos...@yahoo.it
Dear Kevin,
I'm Gloria Saracino from the Center of Nanomedicine and Tissue Engineering
of the Hospital of Niguarda Ca' Granda in Milan, Italy.
I'm interested into knowing more about this new web based toolas I use MD
Don't you wanna try to use the VMD
use vmd xxx.gro yyy.trr and then you could highlight your ligand
2013/6/27 Sainitin Donakonda saigr...@gmail.com
Hi,
I simulated protein ligand complex for 20 ns now i want to visualize this
complex after simulation in pymol.To look ligand interactions
Hello Everybody
I'm running a production simulation of a kinase (after minimization
and equilibration) and after concluded 20ns I got the following
problem when I tryied to run g_rmsf
Fatal error:
Molecule in topology has atom numbers below and above natoms (4005).
You are probably trying to use
I'm trying to run a kinase (what means that I had ATP - large charged
group) energy minimization and then MD.
But when I put my protein together with its ligands I gotcha the
follow error message:
There is no domain decomposition for 6 nodes that is compatible with
the given box and a minimum
Have you tryed online servers as
http://davapc1.bioch.dundee.ac.uk/prodrg/or the Acpype (with Amber)?
2012/6/11 Marc Gordon marcgrd...@gmail.com
Hello again fellow gromacs users.
I am looking to model a glucose-rhamnose disaccharide using the 53a6
forcefield. I wanted to take a look at the
I have Python 2.6.5
2012/5/2 Martin Hoefling martin.hoefl...@googlemail.com
Am 30.04.2012 19:32, schrieb Thales Kronenberger:
Hey Folks,
SUDO_USER=laboratorio24
PWD=/home/laboratorio24/OpenMM4.0-Linux64/python
File setup.py, line 165
print %s % outputString
Hi
I trying to install the OpenMM to so run gromacs using GPU, but when I set
the locals variables and type: sudo ./install.sh
It's says:
SUDO_USER=laboratorio24
PWD=/home/laboratorio24/OpenMM4.0-Linux64/python
File setup.py, line 165
print %s % outputString
^
SyntaxError:
I configure Amber1.5 and installed the Acpype compatible (the tests went
pretty well)
BUT when I tried to submit my own job by the line
acpype -i proteinname.mol2 -c user
i got the message:
==
=
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