You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
12 lines
333 B
12 lines
333 B
2 years ago
|
source leaprc.gaff
|
||
|
|
loadamberparams /home/adit/miniconda3/dat/leap/parm/frcmod.ions1lm_iod
|
||
|
|
loadoff ../urea/URA.lib
|
||
|
|
loadamberparams ../urea/urea.frcmod
|
||
|
|
loadoff ../water/water.lib
|
||
|
|
loadamberparams ../water/water.frcmod
|
||
|
|
SYSTEM = loadpdb system_init.pdb
|
||
|
|
list
|
||
|
|
saveamberparm SYSTEM system.prmtop system.inpcrd
|
||
|
|
savepdb SYSTEM system.pdb
|
||
|
|
quit
|