d997d56941
Changes: - Missing hydrogens atoms of HETATM molecules (pdb files) are stored locally. - Pdb files can now be clipped. - Fixes missing residues. Introduces an alternative way of generating rotamers, without using z-matrices. This potentially a faster algorithm. - Supports Movie making through avconv/ffmpeg. - calculates the Electron Localization Function (ELF). - Updated code of ambfor/ambmd to speed up optimisations/MD of proteins solvated in water (Jan, 2014). PR: 204341
28 lines
669 B
Text
28 lines
669 B
Text
--- ambfor/makefile.orig 2015-05-02 19:49:10 UTC
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+++ ambfor/makefile
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@@ -12,12 +12,12 @@
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#
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#
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-CFLAGS = -c -g ${EXT}
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+CFLAGS += -c
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#FC = g77
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-FC = gfortran
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-FFLAGS = -c -g -ffast-math -funroll-loops -O3
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+#FC = gfortran
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+#FFLAGS = -c -g -ffast-math -funroll-loops -O3
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LIBS = -lm
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-LDR = ${FC} -g
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+LDR = ${FC}
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EXT :=
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ifeq ($(uname), Darwin)
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@@ -56,7 +56,7 @@ ambmd: md.o verlet.o qvdw.o allocmd.o $(
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$(LDR) -o ambmd md.o verlet.o qvdw.o allocmd.o $(OBJS) $(LIBS)
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ambfor.o: ambfor.f
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- ${FC} -c -g -ffast-math -funroll-loops -o ambfor.o ambfor.f
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+ ${FC} -c ${FFLAGS} -o ambfor.o ambfor.f
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allocmd.o: alloc.c
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$(CC) $(CFLAGS) -DMD -c alloc.c -o allocmd.o
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