About assigning ro value
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RRC
Jul 28, 2013, 1:05:09 AM7/28/13
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Dear Plumed users Thank you for your previous replies
I am using COORD LIST key word in Plumed/gromacs interface to calculate free energy
As stated in the manual I have assigned the value of ro=1.6 by measuring the full width at half maximum of the Radial distribution peak (using g_rdf tool og gromacs )
The gromacs gives output in nm
My Above stated method is correct or wrong?
Also When I use the value in R_O in plumed.dat file Should i convert nm int Amstrong ? or can i use the Value as such in nm ?
With regards
S.Vidhyasankar
I am using COORD LIST key word in Plumed/gromacs interface to calculate free energy
As stated in the manual I have assigned the value of ro=1.6 by measuring the full width at half maximum of the Radial distribution peak (using g_rdf tool og gromacs )
The gromacs gives output in nm
My Above stated method is correct or wrong?
Also When I use the value in R_O in plumed.dat file Should i convert nm int Amstrong ? or can i use the Value as such in nm ?
With regards
S.Vidhyasankar
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