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

[Peter Kroon]

Hi Cheng,

ITP columns are whitespace separated. So it doesn't matter which
character column it is in exactly, so long as it's separated with
whitespace from the other elements.

See
http://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html#topology-file


Peter

On 01-02-19 14:47, ZHANG Cheng wrote:
> 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