[chimera-dev] Problem with sleap II

Eric Pettersen pett at cgl.ucsf.edu
Thu Oct 16 11:09:39 PDT 2008

Hi JD,
	I am able to solvate PDB 1GCN with a 4 angstrom box using last  
night's build without error.  Can you try the same thing and see if  
that much works for you?  If not, try again with last night's build.   
If last night's build works for 1GCN but not your structure, you may  
have to send me your structure for debugging purposes.  Anyway, let me  
know what happens.


                         Eric Pettersen
                         UCSF Computer Graphics Lab

On Oct 16, 2008, at 2:59 AM, Dr. Jean-Didier Maréchal wrote:

> Hi guys,
> I could test again the solvation script. As you said, the problem  
> with the cygwin library is completely solved.
> I am now running with the following problem:
> Running sleap command: C:\Archivos de programa\Chimera\bin 
> \amber10\exe\sleap -f d:\docume~1\jean\config~1\temp 
> \tmpfqkue6\solvate.cmd
> (solvate) [gtkleap]$ source leaprc.ff03
> (solvate) Error: can not find file leaprc.ff03 in all the search path.
> Failure running sleap
> Check reply log for details
> Thanks for any help,
> JD
> ***************************************************
> Dr. Jean-Didier Maréchal
> Lecturer
> Computational Bioorganic and Bioionorganic Chemistry @ Transmet
> Unitat de Química Física
> Departament de Química
> Universitat Autònoma de Barcelona
> Edifici C.n.
> 08193 Cerdanyola (Barcelona)
> Tel: +34.935814936
> e-mail: JeanDidier.Marechal at uab.es
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> Chimera-dev at cgl.ucsf.edu
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