Hi,
I have created a non-standard residue for FE4S4 cluster using Amber
x-leap tool. x-leap has generated a prep file (attached) for this
non-standard residue in cartesian coordinate format. When I am trying to
convert this file to xml format using prep2xml MTK++ tool, I am getting the
following error:
[naveenks.eric2]$ sh prep2xml.sh
MTK++ prep2xml
prep2xml.sh: line 8: 24694 *Segmentation fault*
$AMBERHOME/AmberTools/src/mtkpp/tools/prep2xml
-i sf4.prep -o sf4.xml -g FE4S4 -f SF4 -n SF4 -a SF4.log
Can prep2xml convert Amber prep file in cartesian coordiantes to xml
format? or Is there any way to convert Amber prep file in cartesian
coordiantes to Amber prep file in internal coordinates? I tried using
antechamber to convert from cartesian to internal, but it gave the
same segmentation fault. I also came to know that antechamber does not work
with metals. Please suggest.
Thanks,
Naveen Samala
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- application/octet-stream attachment: sf4.prep
Received on Tue May 31 2011 - 15:30:02 PDT
