11 659 654
Tlf: +47 57695621
[ http://www.oekolab.com/ | Økolab ] | [ http://www.nanofact.no/ | Nanofactory
] | [ http://www.aq-lab.no/ | AQ-Lab ] | [ http://www.phap.no/ | FAP ]
From: "Justin Lemkul"
To: "gmx-users"
Sent: Tuesday, June 27, 2017 3:11:15 PM
Subject: Re: [gmx-users] D
] | [ http://www.nanofact.no/ | Nanofactory
] | [ http://www.aq-lab.no/ | AQ-Lab ] | [ http://www.phap.no/ | FAP ]
From: "Justin Lemkul"
To: "gmx-users"
Sent: Tuesday, June 27, 2017 3:11:15 PM
Subject: Re: [gmx-users] DNA splitting in simulations
On 6/27/17 7:05 AM, S
On 6/27/17 7:05 AM, Sergio Manzetti wrote:
Jose, thanks for the DPOSRE. About the multiple tcoupling, as mentioned in the
email, grompp wanted equal number of tcouplings as groups in the top file.
That's not true and what you're doing is not sensible. If you're having a
problem, please pr
nt: Tuesday, June 27, 2017 11:51:17 AM
Subject: Re: [gmx-users] DNA splitting in simulations
Hi!
Your mdp file doesn't tell the engine to apply the restraints during the
simulation... You need to specify:
define = -DPOSRES
Also, didn't Justin already warn you about using separate te
Hi!
Your mdp file doesn't tell the engine to apply the restraints during the
simulation... You need to specify:
define = -DPOSRES
Also, didn't Justin already warn you about using separate temperature
couplings for every component of your system?
Please check the "What Not To Do" section under:
h
Hi, I Have run a DNA piece in a box of 7 7 7 , with NaCl ions neutralizing, as
discussed earlier. The simulation went fine without any errors, however it
turns out the DNA strands separate. The position restraints made by pdb2gmx
using the AMBERDB ISTN ff are not working ?
This is the posres f
