NEEMP:Getting started
From WebChem Wiki
Revision as of 14:13, 20 June 2016 by Francesco (talk | contribs) (Created page with "<span style="color:#FF0000"> waiting for instructions on how to retrieve the executable file </span> '''NEEMP''' can then be run simply by calling the command <code>./neemp</...")
waiting for instructions on how to retrieve the executable file
NEEMP can then be run simply by calling the command ./neemp
. For instance, to get information about basic usage, use:
~/neemp/$ ./neemp --help
Click on the link to see the complete options list.
Before proceeding in the description of NEEMP's modes, here we introduce a tree representation of NEEMP's main directory to assist the user in the examples understanding.
NB: the examples directory contains all the files employed in the NEEMP:examples section. src directory has not been expanded to improve the readability.
/neemp ├── examples │ ├── charges.chg │ ├── ElemBond.par │ ├── Element.par │ ├── NOTES │ ├── set01.sdf │ ├── set02.sdf │ └── set03.sdf ├── LICENCE ├── Makefile ├── misc │ ├── template │ ├── valgrind-suppresions │ └── web-update.sh ├── README └── src