Re: [gmx-users] order parameter for UAFF model

afsaneh maleki wrote: thanks for your reply i have got output file,i used the following options: # g_order -f md.xtc -s md.tpr -n sn1.ndx -o order-sn1.xvg -od deuter-sn1.xvg-d z whatever deuter-sn1.xvg get me is the same Sc-c (the vector Ci-1,Ci,Ci+1 is considered as molecule vect

Re: [gmx-users] order parameter for UAFF model

thanks for your reply i have got output file,i used the following options: # g_order -f md.xtc -s md.tpr -n sn1.ndx -o order-sn1.xvg -od deuter-sn1.xvg-d z whatever deuter-sn1.xvg get me is the same Sc-c (the vector Ci-1,Ci,Ci+1 is considered as molecule vector)? where i used the united

Re: [gmx-users] order parameter for UAFF model

afsaneh maleki wrote: Hi all, i used united the atom force field model for the membrane lipids . to calculate order parameter i used : g_order -od -d i know united atom force field doesn't have hydrogen atoms in hydrocarbons chains . i want to know gromacs calculates order parameter

[gmx-users] order parameter for UAFF model

Hi all, i used united the atom force field model for the membrane lipids . to calculate order parameter i used : g_order -od -d i know united atom force field doesn't have hydrogen atoms in hydrocarbons chains . i want to know gromacs calculates order parameter * Sc-c* or *Sc-d*(Deuterium)