[AMBER-Developers] Do sleap support water?

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Mon, 30 Nov 2009 02:46:43 -0800


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
    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.

Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.

AMBER-Developers mailing list

Received on Mon Nov 30 2009 - 03:00:03 PST
Custom Search