Hi all:
I try to use RunGULP.bat to carry on my work.I have some questions as follows:
1.can i use the perl Script in my "basename".in file?
2.can i export the molecule data in ".pdb"file and use in "basename".in file?
3.can i Modify the meam_2nn.lib parameters and call directlyin in the "basename".in file?or maybe i can type in the parameters by useing the foramt teached in the help(baskes)?
thank you for you help. Happy to hear form you.
Best wishes
form:piglet
I try to use RunGULP.bat to carry on my work.I have some questions as follows:
1.can i use the perl Script in my "basename".in file?
2.can i export the molecule data in ".pdb"file and use in "basename".in file?
3.can i Modify the meam_2nn.lib parameters and call directlyin in the "basename".in file?or maybe i can type in the parameters by useing the foramt teached in the help(baskes)?
thank you for you help. Happy to hear form you.
Best wishes
form:piglet
