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Questions related from Lakshmanji Verma
I am looking for an Amber based force field for chloroform as solvent to use with Gromacs. I adopted GAFF ff from http://virtualchemistry.org. The partial charge on chlorine and carbon which are...
08 August 2019 8,453 4 View
I have simulated my system with two thermostat, Noose-hoover and V-rescale, with same pressure couple. I got slightly different results for the two different thermostat. What could be the possible...
06 June 2018 4,152 2 View
I checked it in the manual which says if periodic-molecules is set to no, "molecules are finite, fast molecular PBC can be used" and if it is set to yes " for systems with molecules that couple...
04 April 2018 4,575 0 View
I would like to if there is any way to correlate experimental CSP data with that of MD simulation. If possible, please suggest me some papers.
10 October 2017 404 2 View
I have simulated a DNA-Protein Complex structure with 150mM NACL salt concentration for 100 nanoseconds. The simulation is completed with not much problem, but while visual analysis in VMD of the...
05 May 2017 8,219 10 View
I am more interested in learning the process of doing it and not just outcome.
02 February 2017 1,889 2 View