I want write filed for methanol molecule. I need to know what the difference is between OPLS-AA and OPLS-AA/L?
OPLS-AA/L has refitted Fourier torsional coefficients. The method and data set is described by Kaminski et al. in J. Phys. Chem. B, 2001, 105 (28), pp 6474–6487
Hi how set "upper limit" "lower limit" in embedded-atom method (EAM) potential? Thank you
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Do you see any papers related to molecular dynamics simulation of metal nanoparticle and protein?
01 February 2014 9,242 0 View
I see that in some papers the reported methanol-water in 300K shows a positive deviation from Raoult's law, but at low temperatures have negative deviation from Raoult's law. Does anyone have a...
10 November 2013 8,857 4 View
I need critical points as temperature,density and pressure of methanol with opls-aa force field.
10 November 2013 7,937 2 View
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Molecular simulation and Raoult's law.
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10 November 2013 4,015 6 View
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kindly reply me. Thanking you in advance.
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Molecular docking software/ websites?
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Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
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Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
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