Re: Re: namd 2.7b2 or later - amberff/prmtop causes segfault during startup phase

From: Vlad Cojocaru (
Date: Wed Feb 24 2010 - 07:11:42 CST


"coordinates" and "ambercoor" take different file formats ... Did you
use the correct files with each option ?
What was the "correct" 1-4scaling value and what was the "wrong" one ?


Nicolas Sapay wrote:
> Hello,
> Actually, I have the same problem. In my case, the culprit seems to be
> the 1-4scaling statement. When I have commented the line and
> copy/paste a new one from a previous file, there was no more
> segmentation fault. I suppose there is a reading error at some point,
> but I cannot be more precise. The weird thing is that the input file
> with the "wrong" 1-4scaling line was working with the "coordinates"
> statement, but not with the "ambercoor" one.
> Regards
> Nicolas

Dr. Vlad Cojocaru
Heidelberg Institute for Theoretical Studies
Molecular and Cellular Modelling Group
Schloss-Wolfsbrunnenweg 35
69118 Heidelberg
Tel: ++49-6221-533202
Fax: ++49-6221-533298
Amtgericht Mannheim / HRB 337446
Managing Directors: Dr. h.c. Klaus Tschira, Prof. Dr.-Ing. Andreas Reuter (

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