fixed Glycam ff

Valdes-Tresanco-MS · Nov 16, 2020 · c5508a6 · c5508a6
1 parent b869531
commit c5508a6
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/test_files/Protein_glycan/mmpbsa.in b/test_files/Protein_glycan/mmpbsa.in
@@ -4,7 +4,7 @@ Sample input file for GB calculation
 #according to what is better for your system.
 &general
 startframe=5, endframe=20, verbose=2,
-protein_forcefield="oldff/leaprc.ff99SB", ligand_forcefield="leaprc.GLYCAM_06j-1"
+protein_forcefield="oldff/leaprc.ff99SB", ligand_forcefield="leaprc.GLYCAM_06h-1"
 /
 &gb
 igb=5, saltcon=0.150,