AMBER Archive (2009)

Subject: Re: Re: [AMBER] How can I use the charge I calculated (using mol2 file) ?

From: ÀÌÀ±°æ (greense9_at_snu.ac.kr)
Date: Mon Mar 02 2009 - 19:39:37 CST

Thanks for your reply.

I still have some questions.

You answered that after loading mol2 file which contains information about the charge I calculated, I should load pdb file.

Does this mean mol2 file is just used for the charge?

For example, when sustiva in pdb file has different coordinate from the sustiva in mol2 file,

can I use that mol2 file just for reference for charges,

or should I make a new mol2 file for the sustiva in pdb and load it, and then load the rest of pdb file except sustiva?

Thanks again.

YounKyoung@ Seoul National University


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