to let me
> know that you have posted your images to photobucked and put a link on the
> gmx list and I will take a look and reply on list.
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.k
s.kth.se
on behalf of Dilip H N
Sent: 06 October 2017 02:39:49
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Regarding wired RDF of TMAO and Aminoacid
1] My simulations in the production MD are for 10 ns. I am first doing
energy minimization, followed by NPT run of 2ns (100; 0.002 * 1
1] My simulations in the production MD are for 10 ns. I am first doing
energy minimization, followed by NPT run of 2ns (100; 0.002 * 100 =
2000 ps[2ns]), and then followed by NPT Production MD run for 10 ns
(1000; 0.001 * 1000 = 1 ps [10 ns]). During the npt simulation,
the box
g_gmx-users-boun...@maillist.sys.kth.se
on behalf of Dilip H N
Sent: 05 October 2017 23:53:03
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] Regarding wired RDF of TMAO and Aminoacid
Sir,
1] Regarding the unexpected results, i meant that for different
concentrations, the peaks should be same
___
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Dilip H N
>
> Sent: 04 October 2017 23:48:08
> To: gromacs.org_gmx-users@maillist.sys.kth.se
> Subject: [gmx-users] Regarding wired
: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of Dilip H N
Sent: 04 October 2017 23:48:08
To: gromacs.org_gmx-users@maillist.sys.kth.se
Subject: [gmx-users] Regarding wired RDF of TMAO and Aminoacid
Hello,
I have run an NPT MD simulation of an amino acid with TMAO (as a cosolvent)
and water
Hello,
I have run an NPT MD simulation of an amino acid with TMAO (as a cosolvent)
and water for different concentration (by varying composition of cosolvent:
water). I have used Charmm36 FF for TMAO.
Now if i am plotting the RDF for Amino acid v/s Water in the presence of
different concentrations
