Hello,
I want to compile the source code gmx_hbond.c after the below
mentioned bugfix, I have already installed gromacs 4.5.3, how can I
compile only gmx_hbond.c in already installed
gromacs 4.5.3.
>Hi,
>There have been reports about inconsistencies between older (<= 4.0.7?) and
>newer versions of g_hbond, where the older seem to have been more reliable. I
>found and killed the bug >that caused the newer versions to miscount the
>hbonds. Checkout release-4-5-patches to get the bugfix, or patch it yourself
>by commenting out line 1497, which reads "return hbNo;":
> if (bBox){
>if (d>a && bMerge && (bContact || isInterchangable(hb, d, a, grpd, grpa))) {
>/* acceptor is also a donor a\
>nd vice versa? */
> /* return hbNo; */
>daSwap = TRUE; /* If so, then their history should be filed with donor and
>acceptor swapped. */
> }
>Simple as that
--
-----------------------
Thanks & Regards,
Bipin Singh
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