AMBER Archive (2004)

Subject: Re: AMBER: solvateCap warning

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Fri Apr 23 2004 - 08:47:49 CDT

which version of amber are you using? in newer version of amber,
WATBOX216 was replaced by TIP3PBOX. try 'list' command and see if it's
the case.

Guanglei

Helios Chen wrote:

> Dear all, I run a command: solvateCap test WATBOX216 { 10 12 -4 } 20,
> but a warning happened as follows.
> solvateCap: Argument #2 is type String must be of type: [unit].
> p.s. The test was generated by test = loadpdb test.pdb. Could anybody
> give me a help? I would appreciate very much if you could tell me
> what's wrong.
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