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

From: Harshala Haldankar <>
Date: Mon, 20 Jul 2015 17:04:07 +0530


Bill thanks for your reply.
When I change the names of the atom types in my converted pdb from charmm
to amber, it works fine for N-terminal patch and my 18 residues. But not
for C-terminal patching group. I have tried CT2 and CT3 terminal patching
groups for C-terminal. But still its not working.
please help me to come out of this error.

Harshala Haldankar

On Sat, Jul 18, 2015 at 11:14 AM, Harshala Haldankar <>

> Hi,
> 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...
> Thanks,
> Harshala Haldankar
AMBER mailing list
Received on Mon Jul 20 2015 - 05:00:03 PDT
Custom Search