From: JAVAD NOROOZI (noroozijavad_at_yahoo.com)
Date: Tue Jan 06 2015 - 03:51:07 CST
Happy New Year,I have a question regarding Non-Equilbirium Molecular Dyamics (NEMD) in NAMD(the heat diffusion tutorial).
Is it possible to define two different temperature using "tcouple" feature of NAMD?
From: Akshay Bhatnagar <akshaybhatnagar2790_at_gmail.com>
To: Branko <bdrakuli_at_chem.bg.ac.rs>
Cc: "namd-l_at_ks.uiuc.edu" <namd-l_at_ks.uiuc.edu>
Sent: Monday, 5 January 2015, 16:16:07
Subject: Re: namd-l: Reg: simulating an amino acid in dichloromethane
Dear Branko and Jeff
thank you very much for the information
With RegardsAkshay BhatnagarPhD Student BITS Pilani Hyderabad Campus
On Mon, Jan 5, 2015 at 5:09 PM, Branko <bdrakuli_at_chem.bg.ac.rs> wrote:
It is CH2Cl2 cluster, which can be used for solvation, in VegaZZ (http://nova.disfarm.unimi.it/cms/index.php?Software_projects:VEGA_ZZ:Download). If you need CHARMM36 parameters for CH2Cl2 solvated amino acid or similar, you could use paramchem server, as Jeff suggested
On 1/3/2015 6:18 AM, Akshay Bhatnagar wrote:
Can anyone provide me with the topology and parameter files for dichloromethane as a solvent instead of water.
BITS Pilani Hyderabad Campus
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