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Mapped HIS1 to HSD in charmm27.
[alexxy/gromacs.git]
/
share
/
top
/
charmm27.ff
/
aminoacids.r2b
diff --git
a/share/top/charmm27.ff/aminoacids.r2b
b/share/top/charmm27.ff/aminoacids.r2b
index 41bcbab9f1415cf2f0c653c0537854c0583ba5ec..f3e88d2682c818df69b4ac6b31ebda897c917855 100644
(file)
--- a/
share/top/charmm27.ff/aminoacids.r2b
+++ b/
share/top/charmm27.ff/aminoacids.r2b
@@
-1,6
+1,7
@@
; rtp residue to rtp building block table
;GMX Force-field
HISD HSD
+HIS1 HSD
HISE HSE
HISH HSP
LYSN LSN