[AMBER] Trouble obtaining force field parameters via Antechamber

From: Hyun-seok Kim <roiter85.snu.ac.kr>
Date: Thu, 6 Mar 2014 03:43:49 +0900

Dear AMBER users,

 

HI, I'm trying to obtain force field parameters via Antechamber.

First, I've made a pdb file by myself from coordinate information(XYZs)
using VMD.

Then, I've converted to mol2 file and obtained 'frcmod' file via
Antechamber.

However, I get correct number of bonds but everything else is missing.

I guess the pdb file I've made is causing the trouble.

(sustiva.pdb from AMBER example works fine)

 

Any suggestions to make a firm pdb file from coordinate information?

I'm attaching the pdb file I've made.

 

Thank you.

 

****************************************************************************
**********

Hyun-Seok Kim,

Ph. D. Candidate,
Creative Research Initiatives Center for Bridging-Scaled Isogemetric Optimal
Design.,
and Department of Naval Architecture and Ocean Engineering,
College of Engineering, Seoul National University, Seoul, South Korea
  
(Tel.) +82- 2-880-8496
(Fax) +82- 2-883-8496
(E-mail) <mailto:y21129.snu.ac.kr> roiter85.snu.ac.kr

****************************************************************************
**********

 



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Received on Wed Mar 05 2014 - 11:00:04 PST
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