Do your atom names in loaded pdb match those in the residue templates?
Bill
<div>-------- Original message --------</div><div>From: Harshala Haldankar <harshala7h.gmail.com> </div><div>Date:07/17/2015 10:44 PM (GMT-08:00) </div><div>To: amber.ambermd.org </div><div>Subject: [AMBER] Problem in saving parameter/topology and coordinate file. </div><div>
</div>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 charmmlipid2amber.py 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
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Received on Sat Jul 18 2015 - 00:30:02 PDT
