Am 23.12.2012 21:05, schrieb Peter Lai:
You can have a look at http://www.ncbi.nlm.nih.gov/pubmed/21843471 ,
maybe that does what you want.
Best
Martin
> Yun Shi wrote:
>
>> Interesting. Would that be like adding sodium chloride on one side of
>> the membrane while adding only potassium on the
Am 06.12.2012 21:16, schrieb Justin Lemkul:
>
>
> On 12/6/12 3:12 PM, fatemeh ramezani wrote:
>> hello
>> I want to simulate gold nanoparticles with proteins. I've made a
>> PDF file containing the nanoparticles and proteins, using Hayprkm
>> software.then Ihave used thisPDF fileto start the simu
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
> ^
> SyntaxError: invalid syntax
> INSTALLATION FAILED
which python version are yo
The factor depends on the choice of your reaction coordinate, and since
g_wham doesn't care about it - it's not included.
It accounts for the change in volume when going from cartesian to
general coordinates and can be computed as -k_B * T * (d ln ( | J |) /
d_lambda), where lambda is the functio
Hey Folks,
I am having trouble with the t0 parameter in conjunction with -b. What
I am trying to obtain is the following: Trajectory starts at 0 ends at
11. From this trajectory, I wanna write out frames from 1 to
11 (so discard the first 1) and set starting time to 0 so tha
,
time units are ps and trajectories have 1ps sampling.
Best wishes
Martin
BTW:
The workaround for this problem:
First writing -b into a temp trajectory and then treating the tmp
trajectory with -t0 0
--
Martin Hoefling
Max Planck Institute for Biophysical Chemistry
Theoretical
Am 14.09.2009 um 09:16 schrieb Jan Jakubik:
==
There are some install information, I holp someone can help me !
I have met some mistakes while installing gromacs on SGI Altix450
workstaion.
The Operating System is SUSE 10 .
My fortran complier is intel fortran complier (
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