On 8/31/13 3:11 PM, Justin Lemkul wrote:
On 8/31/13 3:04 PM, Gianluca Interlandi wrote:
I complied gromacs 4.6.3 with -DBUILD_SHARED_LIBS=ON. The only libraries that I
find are:
libmd.so libgmxana.so libgmxpreprocess.so libgmx.so
which are also produced without specifying -DBUILD_SHARED_LIBS=ON There is no
library called libmdrun.so like the one used in grompy. Could it be that
libmdrun.so is replaced by libmd.so in version 4.6.3? Does the command mdrun
call libmd.so?
I have never heard of anything called "libmdrun.so" and I do not see one in any
of my current installations - 4.0.7, 4.5.5, or 4.6.3. The mdrun command should
be linked against libmd.so; you can check with ldd.
A quick look through the GromPy documentation suggests that libmdrun.so is
something that GromPy creates through one of its scripts. Having never used
GromPy, that's the best I can offer.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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