From 5e39830c23530e5bdac9d38318fe3c7617c60a23 Mon Sep 17 00:00:00 2001 From: ricalessandri Date: Sun, 7 Jul 2024 06:32:49 -0500 Subject: [PATCH] Add PMAP,PEPP,PVBP to LIBRARY.md --- LIBRARY.md | 3 +++ ...PEPPcharged.ff => PEPP_and_PEPPcharged.oplsaa.LigParGen.ff} | 0 ...PMAPcharged.ff => PMAP_and_PMAPcharged.oplsaa.LigParGen.ff} | 0 ...PVBPcharged.ff => PVBP_and_PVBPcharged.oplsaa.LigParGen.ff} | 0 4 files changed, 3 insertions(+) rename polyply/data/oplsaaLigParGen/{PEPP_and_PEPPcharged.ff => PEPP_and_PEPPcharged.oplsaa.LigParGen.ff} (100%) rename polyply/data/oplsaaLigParGen/{PMAP_and_PMAPcharged.ff => PMAP_and_PMAPcharged.oplsaa.LigParGen.ff} (100%) rename polyply/data/oplsaaLigParGen/{PVBP_and_PVBPcharged.ff => PVBP_and_PVBPcharged.oplsaa.LigParGen.ff} (100%) diff --git a/LIBRARY.md b/LIBRARY.md index 00e98e0de..6e6d774a5 100644 --- a/LIBRARY.md +++ b/LIBRARY.md @@ -24,6 +24,9 @@ |Poly(TEMPO methacrylate) |PTMA |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PTMA.oplsaa.LigParGen.ff)|[martini3](polyply/data/martini3/PTMA.martini3.ff) | | | | |[ibi_cgm3](polyply/data/ibi_cmg3/PTMA.cgm3.ibi.ff) | | | | |[ibi_gbcg](polyply/data/ibi_gbcg/PTMA.gbno2.ibi.ff) | +|poly(N-(methacryloxyethyl) phthalimide)|PMAP |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PMAP_and_PMAPcharged.oplsaa.LigParGen.ff)| | +|poly(2,3-epoxy-propylphthalimide)|PEPP |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PEPP_and_PEPPcharged.oplsaa.LigParGen.ff)| | +|poly(N-(vinylbenzyl) phthalimide)|PVBP |[oplsaaLigParGen](polyply/data/oplsaaLigParGen/PVBP_and_PVBPcharged.oplsaa.LigParGen.ff)| | |Dextran |DEX | |[martini3](polyply/data/martini3/dextran.martini3.ff) | |DNA nucleobases |Dx, Tx5, Dx3 w/ x=T,G,A,C|[parmbsc1](polyply/data/parmbsc1/dna_final.ff) |[martini2](polyply/data/martini2/DNA_M2.ff) | |Aminoacids |3 letter code | |[martini3](polyply/data/martini3/aminoacids.ff) | diff --git a/polyply/data/oplsaaLigParGen/PEPP_and_PEPPcharged.ff b/polyply/data/oplsaaLigParGen/PEPP_and_PEPPcharged.oplsaa.LigParGen.ff similarity index 100% rename from polyply/data/oplsaaLigParGen/PEPP_and_PEPPcharged.ff rename to polyply/data/oplsaaLigParGen/PEPP_and_PEPPcharged.oplsaa.LigParGen.ff diff --git a/polyply/data/oplsaaLigParGen/PMAP_and_PMAPcharged.ff b/polyply/data/oplsaaLigParGen/PMAP_and_PMAPcharged.oplsaa.LigParGen.ff similarity index 100% rename from polyply/data/oplsaaLigParGen/PMAP_and_PMAPcharged.ff rename to polyply/data/oplsaaLigParGen/PMAP_and_PMAPcharged.oplsaa.LigParGen.ff diff --git a/polyply/data/oplsaaLigParGen/PVBP_and_PVBPcharged.ff b/polyply/data/oplsaaLigParGen/PVBP_and_PVBPcharged.oplsaa.LigParGen.ff similarity index 100% rename from polyply/data/oplsaaLigParGen/PVBP_and_PVBPcharged.ff rename to polyply/data/oplsaaLigParGen/PVBP_and_PVBPcharged.oplsaa.LigParGen.ff