On Thu, Sep 21, 2017 at 12:13 PM, Ashutosh Shandilya
<scfbioiitd.gmail.com> wrote:
> It saves pdb but with no water. I also tried other options such as
> solvatebox var {xx xx xx}. This didn't work as well. Few on line search and
> manual suggested using
The 'solvatebox' and 'solvateoct' commands in tleap are the only
commands that will both create a unit cell and fill it with solvent.
Can you describe in more detail what you did when you tried
'solvatebox', and why it didn't work for you?
-Dan
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Sep 21 2017 - 13:00:05 PDT
