Re: [AMBER] how to add lipid

From: Bill Ross <>
Date: Sun, 23 Aug 2015 23:15:09 -0700

Hi Mohammad,

Read the instructions for the loadpdb command in leap.

> dopc = loadpdb dopc.pdb

Then try saveamberparm and see what parameters you need.


<div>-------- Original message --------</div><div>From: mohammad r <> </div><div>Date:08/23/2015 9:38 PM (GMT-08:00) </div><div>To: AMBER Mailing List <> </div><div>Subject: Re: [AMBER] how to add lipid </div><div>
</div>Thank you Bill;
You mean that I should first build the lipid in amber tools. I could find the pdb file and when I want to add it to my system (add system dopc), I get the error which says that the argument #2 must be of type <molecule,unit,residue>.
Best, M.

     On Monday, August 24, 2015 1:36 AM, Bill Ross <> wrote:

You could look at tutorials for building new residues/molecules, and/or
look for pdb files on the net.
E.g. you could sketch one in xleap, edit the atoms and assign types from
some previous paper, loading the params in a frcmod file (read a
tutorial if this doesn't make sense). That would let you use the
molecule in Amber, but for random placement you would need other
software, and Packmol might do it, find it on the web.


On 8/23/2015 7:08 AM, mohammad roostaie wrote:
> Hi;
> I want to add DOPC lipid molecules randomly to my water-peptide system, but
> I don't know how to do it. I don't have the pdb file of lipid. What should
> I do first?
> Thanks, Mohammad.
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Received on Sun Aug 23 2015 - 23:30:03 PDT
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