Hi,
I was testing hydrogen radii in a water molecule the other day, I found out
this script doesn't work in AmberTools 1.3rc sleap but seems to be okay in
tleap:
mymol = sequence{TP3}
saveamberparm mymol wat.prmtop wat.inprst
sleap simply dies with segfault. This also happens to following commands
mymol = loadpdb water.pdb
saveamberparm mymol water.prmtop water.inprst
sleap dies with segfault.
On the other hand, solvate* commands seem to be working perfectly in sleap.
I apologize if this has been reported.
Thanks,
--
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
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- application/octet-stream attachment: water.pdb
Received on Mon Nov 30 2009 - 03:00:03 PST
