Dear users, I have a membrane simulation trajectory, in which the solvent (water and ions) is separated by lipid bilayer.
I want to center the solvent so that the membrane is separated by two layers at the bottom and top in the unit cell. I have tried the followings. trjconv -f ../Eq9/eq9.xtc -o cen2.xtc -n ../memb.ndx -pbc cluster trjconv -f ../Eq9/eq9.xtc -o cen2.xtc -s ../Eq9/eq9.gro -n ../memb.ndx -center rect -pbc whole Both pbc and center didn't work. Is there any way to center the solvent? Happy holidays. -- Best wishes, MYUNGGI YI ================================== KLB 419 Institute of Molecular Biophysics Florida State University Tallahassee, FL 32306 Office: (850) 645-1334 http://www.scs.fsu.edu/~myunggi
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