On 26/05/17 22:05, Erik Marklund wrote:
“Pairs within 0.35 nm”. They also don’t fulfil the angle criterion, which is
why they are sometimes fewer than the hbonds.
Therefore I would assume they are more instead.
Kind regards,
Erik
On 26 May 2017, at 19:38, Adarsh V. K.
“Pairs within 0.35 nm”. They also don’t fulfil the angle criterion, which is
why they are sometimes fewer than the hbonds.
Kind regards,
Erik
> On 26 May 2017, at 19:38, Adarsh V. K. wrote:
>
> Dear all,
>
> The 'gmx hbond' command returns a *.xvg file... viz. "
Dear all,
The 'gmx hbond' command returns a *.xvg file... viz. " hbnum.xvg "
I would like to edit the file before viewing in 'Xmgrace'
I opened the hbnum.xvg using 'gedit'. It shows following details (see below)
Can you please tell me what is there in the third column of the file?
Hi Justin,
Here is what I understand. I would like to know if I understood correctly.
Given a selection, which has all the heavy atoms (5 atoms) in the side
chain of one specific residue (say Lysine), I want to have only "one value"
for the average fluctuation of this selection.
Thus, I will use
Hello,
I've run Gromacs following the suggestions, but I still get nonzero
contributions from the mass changing. I will outline in-depth what I did.
Thank you very much for your help!
(1) Heptane molecule was inserted into a box of size 10x10x10 nm3 with 7833
water molecules using Gromacs
On 5/26/17 2:22 AM, Mohsen Ramezanpour wrote:
Hi Justin,
I have a naive question on tool development for gromacs.
If I change part of the code, or if I write a new analysis tool in c++ and
add it to this directory (after compiling with g++), shall I still
recompile the whole Gromacs again?
Hi Justin,
I have a naive question on tool development for gromacs.
If I change part of the code, or if I write a new analysis tool in c++ and
add it to this directory (after compiling with g++), shall I still
recompile the whole Gromacs again?
Cheers,
Mohsen
On Thu, May 25, 2017 at 1:43 PM,