[gmx-users] pullx (gromacs 4.6 vs 2016)

[gromacs query]

Hi All,

I am using 'equivalent' mdp settings for pull run in Gromacs 4.6 and 2016.

With gromacs 4.6 I get time, 0Z and 1dZ; which I can understand as
explained here:  https://www.mail-archive.com/gmx-users@gromacs.org/
msg22453.html

With Gromacs 2016 I get only time and some distance and xvg file says is
Position. Is it same as 1dZ? Just wondering why 0Z is not printed.

#####> pull settings for 4.6<####

pull            = umbrella
pull_geometry   = direction ;
pull-vec1 = 0 0 -1
pull_dim        = N N Y ;
pull_start      = yes       ; define initial COM distance > 0
pull_ngroups    = 1
pull_group0     = Mem ; restrained group
pull_group1     = Peptide; group to pull
pull_init1 = 0
pull_rate1      = 0.0; nm per ps
pull_k1         = 1000       ; kJ mol^-1 nm^-2
pull-nstxout = 1000;
pull-nstfout = 1000;
;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;


#####> pull settings for 2016<####

pull = yes
pull_coord1_type        = umbrella ; equivalent to  pull = umbrella
pull_coord1_geometry    = direction   ; equivalent to pull_geometry   =
direction ;
pull-coord1-vec         = 0 0 -1      ; equivalent to pull-vec1 = 0 0 -1
pull_coord1_dim      = N N Y       ; equivalent to pull_dim = N N Y ;
pull_coord1_start     = yes; equivalent to pull_start  = yes ; define
initial COM distance > 0
pull_ngroups            = 2           ; equivalent to pull_ngroups    = 1
pull_coord1_groups      = 1 2
pull_group1_name        = Mem           ; equivalent to  pull_group0
pull_group2_name        = Peptide             ; equivalent to
pull_group1
pull-coord1-init        = 0           ;  pull_init1 = 0
pull_coord1_rate        = 0.00000           ; equivalent to pull_rate1
pull_coord1_k           = 1000           ; equivalent to pull_k1         =
1000       ; kJ mol^-1 nm^-2


Thanks

JIom