I have the top file and I create the topology file using pdb2gmx.
I then generate with editconf the water box.
after that genbox fails...
thanks!
giacomo
Tsjerk Wassenaar wrote:
Hi Giacomo,
You have to provide more information than that. Do you actually have a
file 1KAL.top (I expect not). How did you (or do you think you did)
create the topology? Using pdb2gmx? Please summarize what you did so
far and to get to the point where genbox fails on you?
Best,
Tsjerk
On 10/19/06, Giacomo Bastianelli <[EMAIL PROTECTED]> wrote:
I have to run a md of a cyclic peptide.
Does anybody know how to modify to have
it running...
actually I corrected the file and then run it.
then I arrive at the step "genbox" and it write
the top file but it says:
file input/output error: 1KAL.top
and then I keep having problems for the next steps...
thanks
giacomo
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