AM
Subject: Re: [gmx-users] mdp option for implicit solvent simulation
Hi,
If you're simulating in the gas-phase, how come you want implicit solvent?
Erik
On Jan 11, 2013, at 5:07 AM, Sanku M wrote:
Hi,
I am trying to do implicit solvent simulation for a protein in gas-phase. I
h
Hi Erik,
That statement was a typo. The simulation will be done in implicit solvent (
not in gas phase).
Sanku
From: Erik Marklund
To: Sanku M ; Discussion list for GROMACS users
Sent: Friday, January 11, 2013 5:04 AM
Subject: Re: [gmx-users] mdp option
Hi,
If you're simulating in the gas-phase, how come you want implicit
solvent?
Erik
On Jan 11, 2013, at 5:07 AM, Sanku M wrote:
Hi,
I am trying to do implicit solvent simulation for a protein in gas-
phase. I have a few questions :
1) should I use sd integrator?
2) should I also use n
Hi,
I am trying to do implicit solvent simulation for a protein in gas-phase. I
have a few questions :
1) should I use sd integrator?
2) should I also use no periodic condition considering continuum dielectric ?
3) in the JCTC 2010 paper by Lindahl and co-worker, it is mentioned that no
cutof
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