AMBER Archive (2009)

Subject: Re: [AMBER] ambmol2?

From: Junmei Wang (junmwang_at_gmail.com)
Date: Tue Mar 31 2009 - 18:08:25 CDT

try top2mol2.

Best

Junmei

On Tue, Mar 31, 2009 at 5:28 PM, Taufik Al-Sarraj <
taufik.alsarraj_at_utoronto.ca> wrote:

> Hi,
>
> Is the an ambmol2 function in amber? i would like to use
> ambpdb -p *.prmtop < *.rst> *.pdb
>
> but to create a mol2, unfortunately i cannot create a pdb file because i
> have some atoms named Si400 or H1400 which exceeds the number of digits
> allowed in pdb.
>
> alternatively, is there a way to load *.prmtop and *.rst files in x/t/sleap
> and use the savemol2 function?
>
> Best,
> Taufik
>
>
>
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