Saqlain5565

Hello, I want to get the Distribution of the tetrahedral order parameter Q for TIP4P/2005 water model. I have run NPT and have eq_npt.nc trajactory file and wtr_1.prmtop as topology...

Local structure index of water (LSI) code issue

3

i have been trying to get Local structure index (LSI) of water TIP4P/EW by running NPT through cpptraj by using following commands. parm tip4p/ew.parm7 trajin eq_npt.nc solvent :WAT hbond watcoord...

Hello, Can i get cumulative radial distribution of solute "CC" directly through cpptraj?