> I am AMBER begginer. I'd like to run a MD simulation on a protein
> solvated by a combination of single TIP5P water and TIP3P
> waters. Is it
> possible to use a mixture of solvents in AMBER8?
In theory you could although you'd need to create a pdb with at least one of
the solvents in since leaps solvate command will only allow you to solvate
with one solvent.
I am intrigued to know why you'd want to do this, however. The force fields
were never really parameterised with this in mind so you would need to be
careful...
All the best
Ross
/\
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Tue Jul 12 2005 - 17:53:00 PDT
