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 Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu 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@uab.es
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