NMRlipids databank
Contents:
List and descriptions of NMRlipids databank files
User input and content of README.yaml files
Adding simulations into the NMRlipids databank
Adding experimental data into the NMRlipids databank
Universal molecule and atom names
NMRlipids databank API functions
Examples and tutorials
NMRlipids databank
openmm_parser module
View page source
openmm_parser module
openmm_parser.
openmm_input
(
input
,
type
)
[source]
openmm_parser.
read_inp_input
(
input
)
[source]
openmm_parser.
read_xml_input
(
input
)
[source]
class
openmm_parser.
openmmParser
(
filename
,
type
)
[source]
Bases:
object
setTempurature
(
temp
)
[source]
setPressure
(
pressure
)
[source]
setPType
(
ptype
)
[source]
setDt
(
dt
)
[source]