diff --git a/polyply/data/oplsaaLigParGen/links_PTMA.ff b/polyply/data/oplsaaLigParGen/links_PTMA.ff index cc50db02..f6119001 100644 --- a/polyply/data/oplsaaLigParGen/links_PTMA.ff +++ b/polyply/data/oplsaaLigParGen/links_PTMA.ff @@ -165,10 +165,16 @@ resname "PTMA|CH3b" [ atoms ] C01 {"resname": "PTMA"} [ warning ] -You should patch PTMA with a CH3-terminal residues. Use -seq CH3a:1 PTMA:4 CH3b:1 +You should patch PTMA with a CH3a-terminal residue. Use -seq CH3a:1 PTMA:4 CH3b:1 +[ non-edges ] +C01 -C1 +C01 -C17 [ link ] [ atoms ] C17 {"resname": "PTMA"} [ warning ] -You should patch PTMA with a CH3-terminal residues. Use -seq CH3a:1 PTMA:4 CH3b:1 +You should patch PTMA with a CH3b-terminal residue. Use -seq CH3a:1 PTMA:4 CH3b:1 +[ non-edges ] +C17 +C1 +C17 +C01