root = /home/proteininstitute
run = 1
multitrj = n
RecoverJobs = y
backup = y
Cpath = /usr/bin
Apath = /usr/bin
Gpath = /usr/bin
use_topology = n
itp_receptor = topol.top
itp_ligand = UNK.top
use_nonstd_ff  = n
ffield = amber03
name_xtc = md.xtc
name_tpr = md.tpr
complex = complex.ndx
receptor = r.ndx
multichain = n
protein_alone = n
itp_protein = topol.top
ligand = UNK.gro
skip = 1
min = n
double_p = n
read_vdw_radii = n
coulomb = gmx
linearized = y
precF = 0
temp = 310
bcfl = mdh
pdie = 2
coarsefactor = 1.7
grid_spacing = 0.5
sdie = 80
chgm = spl2
srfm = smol
srad = 1.4
swin = 0.3
sdens = 10.0
calcforce = no
ion_ch_pos = 1
ion_rad_pos = 2.0
ion_conc_pos = 0.15
ion_ch_neg = -1
ion_rad_neg = 2.0
ion_conc_neg = 0.15
Hsrfm = sacc
Hpress = 0.0
Hgamma = 0.0227
Hdpos = 0.2
Hcalcforce = total
Hxgrid = 0.1
Hygrid = 0.1
Hzgrid = 0.1
cluster = n
Q = pona
budget_name = pona
walltime = 1.00.00
mnp = 1
pdf  = n
cas = n