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Fix a Replica Exchange output problem
[alexxy/gromacs.git]
/
src
/
kernel
/
repl_ex.c
diff --git
a/src/kernel/repl_ex.c
b/src/kernel/repl_ex.c
index 2694618987738351d9eb38691bc14de26a83ae56..f8046749428ca6f66bb5d7113feeab82ceabede7 100644
(file)
--- a/
src/kernel/repl_ex.c
+++ b/
src/kernel/repl_ex.c
@@
-877,7
+877,7
@@
static real calc_delta(FILE *fplog, gmx_bool bPrint, struct gmx_repl_ex *re, int
dpV = (beta[ap]*re->pres[ap]-beta[bp]*re->pres[bp])*(Vol[b]-Vol[a])/PRESFAC;
if (bPrint)
{
- fprintf(fplog, " dpV = %10.3e d = %10.3e\n
b
", dpV, delta + dpV);
+ fprintf(fplog, " dpV = %10.3e d = %10.3e\n", dpV, delta + dpV);
}
delta += dpV;
}