JMandumpal wrote:
Dear David,
I didn't get the desired box length when I tried to use editconf command
( I took the tip5p box from gromacs/tutor directory) . Then, I tried
editconf command to generate .gro file using myown water box. It worked!!
Still, there is a problem. How can I create .ndx file?- I tried
make_ndx -n tip5p_W.pdb, but it resulted in a message: input/output error.
probably the pdb file doesn't exist or you're not allowed to write in
this directory.
Could you suggest an alternative way for builing up ndx files?
regards
Jestin
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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