the vdW radius of Martini particues is 0.263 nm, or 0.526 nm for the
diameter.
This is clearly indicated in all the martini papers :))
On Jul 18, 2010, at 1:59 AM, Sanku M wrote:
Hi,
I am trying to estimate the solvent accessible surface area of
hydrophobic tails of a martini DPPC
also an example of the use of SASA is in JACS-2007, 129, 10126-10132
On Jul 18, 2010, at 1:59 AM, Sanku M wrote:
Hi,
I am trying to estimate the solvent accessible surface area of
hydrophobic tails of a martini DPPC lipid bilayer . I was going to
use g_sas for that. But, I observe
I have been doing the pull simulations with your scripts and that are running
fine. Thanks a lot. Can I use implicit solvent model in pulling simulations? I
have gone through the mailing list and I found that it is not recommended (I
may
be wrong). Please suggest.
Thanks in advance
Samrat Pal
On 18/07/10 20:21, Samrat Pal wrote:
I have been doing the pull simulations with your scripts and that are running
fine. Thanks a lot. Can I use implicit solvent model in pulling simulations? I
have gone through the mailing list and I found that it is not recommended (I may
be wrong). Please
I would highly recommend you to learn some language like Python or Ruby
and use it for this kind of stuff. More flexible and more maintainable
than shell scripting, and not harder.
cheers,
m.
On 16/07/10 12:03, Hassan Shallal wrote:
Thanks alot Rui for the hint
Hi gmx users,
Since i wanted to use 'TIP5P' water model along with charmm forcefield,
i modified the 'tip5p.itp' file according to other existing force field in
gromacs
And i have made the following changes in the 'ffcharmm27_ffnb.itp'
#ifdef HEAVY_H
OWT58 9.9514000.0
Hi all
I tried to install gromacs-localp-3.0.2 on Fedora 11.
First, I successfully run ./configure:
……..
……..
config.status: creating man/Makefile
config.status: creating man/man1/Makefile
config.status: creating
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