pdb2gmx – Generate topology

Gromacs command line option

Gromita button

-f

Input

-o

Gromacs formated Output

-p

Topology output

-i

include file

-n

Index file

-q

Clean file

-h

Gromacs help

-nice

Set nice level

-merge

merge chains

-ff

Force field

-water

Water model

-inter

interactive

-ss

SS bridges

-ter

Termini

-lys

Lysine

-asp

Aspartic Acid

-glu

Glutamic Acid

-his

Histidine

-angle

Angle

-dist

Distance

-una

United CH atoms

-ignh

Ignore hydrogens

-missing

Ignore missing atoms

-v

Verbose

-posrefc

Constant

-vsite

Convert

-heavyh

Make heavy

-deuterate

Deuterate

-arg

Arginine selection

-gln

Glutamine selection

-quiet

Quiet