AMBER Archive (2009)

Subject: Re: [AMBER] mol2 - pdb conversion

• Previous message: Alan: "Re: [AMBER] sleap and check"
• In reply to: Taufik Al-Sarraj: "Re: [AMBER] mol2 - pdb conversion"
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On Wed, Mar 18, 2009, Taufik Al-Sarraj wrote:

> Thank you i will try and fix the number of digits for the atoms. How did
> you find out the number of atoms that have no bonds? because i should
> remove those H and O that are floating around.

These were flagged in tleap as warnings, so you might check your
leap.log file, or run the script again and check the output carefully.

...dac

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• Previous message: Alan: "Re: [AMBER] sleap and check"
• In reply to: Taufik Al-Sarraj: "Re: [AMBER] mol2 - pdb conversion"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]