[gmx-users] martini: what is the column position if "ASP" is changed to "ASP0" in the itp file?

[ZHANG Cheng]

Dear Peter,


Thank you very much!


Yours sincerely
Cheng




------------------ Original ------------------
From:  "ZHANG Cheng"<272699575 at qq.com>;
Date:  Fri, Feb 1, 2019 09:47 PM
To:  "gromacs.org_gmx-users"<gromacs.org_gmx-users at maillist.sys.kth.se>;

Subject:  martini: what is the column position if "ASP" is changed to "ASP0" in the itp file?



Dear Martini users,


I want to change some chargeable residues into neutral forms. e.g. change "ASP" to "ASP0".

If the column is indexed from 1 (not from 0), the "ASP" column positions are 21-23. So, if "ASP0" is used, should their column positions be 20-23 or 21-24 in the itp file?

Thank you!


Yours sincerely
Cheng