examples/amber-24-parmchk2.bash
... ...
@@ -0,0 +1,8 @@
1
+#!/usr/bin/env bash
2
+
3
+export AMBERHOME=/programs/x86_64-linux/amber/24/
4
+
5
+wget https://ambermd.org/tutorials/basic/tutorial5/files/cro.prepin
6
+
7
+parmchk2 -i cro.prepin -f prepi -o frcmod.cro -a Y -p $AMBERHOME/dat/leap/parm/parm10.dat
8
+