Re: [gmx-users] commanf for wrapping

pragya chohan wrote: hi i want to wrap my lipid in water... which centres the lipid in water. I know a command for this in amber (iwrap ). Is there a corresponding command in gromacs Section 7.4 of the manual. Mark ___ gmx-users mailing list

Re: [gmx-users] commanf for wrapping

hey...i think trjconv used with options -center tric/rect/zero -pbc whole should work. u can make an index file with a group that contains whatever atom u want the system to be centered around. u can choose this center atom group while using index file along with the above command. karan On Nov

[gmx-users] commanf for wrapping

hi i want to wrap my lipid in water... which centres the lipid in water. I know a command for this in amber (iwrap ). Is there a corresponding command in gromacs thanks for your help Pragya Chohan _ Post free property ads on Y