.\" DO NOT MODIFY THIS FILE!  It was generated by help2man 1.49.3.
.TH INPUTGEN "1" "June 2023" "inputgen 3.6.1+dfsg" "User Commands"
.SH NAME
inputgen \- manual page for inputgen 3.6.1+dfsg
.SH DESCRIPTION
usage: inputgen [\-h] [\-\-asynch] [\-\-split] [\-\-potdx]
.IP
[\-\-method {para,auto,manual,async}] [\-\-cfac CFAC]
[\-\-fadd FADD] [\-\-space SPACE] [\-\-gmemfac GMEMFAC]
[\-\-gmemceil GMEMCEIL] [\-\-ofrac OFRAC] [\-\-redfac REDFAC]
[\-\-istrng ISTRNG]
filename
.PP
PDB2PQR v3.6.1: biomolecular structure conversion software. inputgen:
generating APBS input files since (at least) 2004
.SS "positional arguments:"
.IP
filename
.SS "options:"
.TP
\fB\-h\fR, \fB\-\-help\fR
show this help message and exit
.TP
\fB\-\-asynch\fR
perform an asynchronous parallel calculation.
(default: False)
.TP
\fB\-\-split\fR
split an existing parallel input file to multiple
async input files. (default: False)
.TP
\fB\-\-potdx\fR
create an input to compute an electrostatic potential
map. (default: False)
.TP
\fB\-\-method\fR {para,auto,manual,async}
force output file to write a specific APBS ELEC
method. (default: None)
.TP
\fB\-\-cfac\fR CFAC
factor by which to expand molecular dimensions to get
coarse grid dimensions. (default: 1.7)
.TP
\fB\-\-fadd\fR FADD
amount to add to molecular dimensions to get fine grid
dimensions. (default: 20.0)
.TP
\fB\-\-space\fR SPACE
desired fine mesh resolution (default: 0.5)
.TP
\fB\-\-gmemfac\fR GMEMFAC
number of bytes per grid point required for sequential
MG calculation (default: 200)
.TP
\fB\-\-gmemceil\fR GMEMCEIL
max MB allowed for sequential MG calculation; adjust
this to force the script to perform faster
calculations (which require more parallelism)
(default: 400)
.TP
\fB\-\-ofrac\fR OFRAC
overlap factor between mesh partitions (parallel)
(default: 0.1)
.TP
\fB\-\-redfac\fR REDFAC
the maximum factor by which a domain dimension can be
reduced during focusing (default: 0.25)
.TP
\fB\-\-istrng\fR ISTRNG
Ionic strength (M); Na+ and Cl\- ions will be used
(default: None)