[gmx-users] regarding group selection in output

RINU KHATTRI nickname.mittu at gmail.com
Fri Jul 4 06:57:21 CEST 2014


hello every one now i am in

trjconv -s em.tpr -f dppc128.gro -o dppc128_whole.gro -pbc mol -ur compact

this command but in out put they are asking

Will write gro: Coordinate file in Gromos-87 format
Reading file em.tpr, VERSION 4.5.5 (single precision)
Reading file em.tpr, VERSION 4.5.5 (single precision)
Select group for output
Group     0 (         System) has 14036 elements
Group     1 (          Other) has  6656 elements
Group     2 (           POPC) has  6656 elements
Group     3 (          Water) has  7380 elements
Group     4 (            SOL) has  7380 elements
Group     5 (      non-Water) has  6656 elements

 i am unable to understand which group to select

is this command is ok or i have to use set of command to center or
jump the ligand

kindly help


More information about the gromacs.org_gmx-users mailing list