Re: [AMBER] Problem in saving parameter/topology and coordinate file.

From: Bill Ross <>
Date: Sat, 18 Jul 2015 00:13:46 -0700

Do your atom names in loaded pdb match those in  the residue templates?


<div>-------- Original message --------</div><div>From: Harshala Haldankar <> </div><div>Date:07/17/2015 10:44 PM (GMT-08:00) </div><div>To: </div><div>Subject: [AMBER] Problem in saving parameter/topology and coordinate file. </div><div>

I am doing lipid bilayer simulation (POPG/POPE) on my peptide (18-mer)
using AMBER14.

I am following An Amber Lipid Force Field Tutorial: Lipid14 Edition

According to the tutorial, I had used charmm gui to build the
protein/membrane system. Later I converted it to amber compatible format
using script. I used *leaprc.lipid11 *force field for
lipid bilayer and *leaprc.ff12SB* force field for my peptide. When I try to
save parameter/topology and coordinate file, it gives error as follows:
"does not have a type"
"failed to generate parameters"
"Parameter file was not saved"

The Error has been attached.

It shows error only in the peptide section. I have capped the peptide with
*ACE* and *CT3* groups.

Can somebody please help me to solve this error...

Harshala Haldankar

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Received on Sat Jul 18 2015 - 00:30:02 PDT
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