Please add the attached file to the gromos43a1p.ff directory.
-Justin
kalai arasan wrote:
justin,
I am sorry to disturb you again, i just like to convey the
information i got another error while using version 4.5.3
---------------------------------------------------------------------------------------
Program pdb2gmx, VERSION 4.5.3
Source code file: resall.c, line: 581
Fatal error:
Residue 'HISE' not found in residue topology database
---------------------------------------------------------------------------------------
I searched in many links but i am not able to solve it.
On Fri, Jul 29, 2011 at 12:34 AM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
I believe this was a bug in Gromacs that was fixed many years ago.
Version 3.3 is antiquated and severely outdated. I would advise
you to upgrade to version 4.5.4 and try again with the attached
files, which have been reformatted to be compatible with the newer
version. Beyond this, I cannot suggest any other remedy.
-Justin
kalai arasan wrote:
Justin,
Thank you for the files, but still i am facing
problem. Now it showing
------------------------------__------------------------------__-----------------------------
Program pdb2gmx, VERSION 3.3
Source code file: resall.c, line: 331
Fatal error:
in .rtp file at line:
------------------------------__------------------------------__------------------------------__-
Please help me out to solve the problem.
with regards
kalai
On Wed, Jul 27, 2011 at 4:49 PM, Justin A. Lemkul
<jalem...@vt.edu <mailto:jalem...@vt.edu>
<mailto:jalem...@vt.edu <mailto:jalem...@vt.edu>>> wrote:
The files are attached. Please read the README carefully.
-Justin
kalai arasan wrote:
Justin,
I am kalai from India, working in gromacs.
http://oldwww.gromacs.org/____pipermail/gmx-users/2008-____January/031964.html
<http://oldwww.gromacs.org/__pipermail/gmx-users/2008-__January/031964.html>
<http://oldwww.gromacs.org/__pipermail/gmx-users/2008-__January/031964.html
<http://oldwww.gromacs.org/pipermail/gmx-users/2008-January/031964.html>>
I am facing the error while running pdb2gmx command, i
saw from
above link that you can solve this problem, please help
me out.
Below i mention the error.
------------------------------____----------------------------__--__--------------------------
Program pdb2gmx, VERSION 3.3
Source code file: h_db.c, line: 85
Fatal error:
wrong format in input file ffG43a1p.hdb on line
2 7 OW
------------------------------____----------------------------__--__--------------------------__----__--
-- P.Kalaiarasan
National Centre of Applied Human Genetics
School of Life Sciences
JNU
New Delhi
India
-- ==============================____==========
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> <http://vt.edu> | (540)
231-9080
http://www.bevanlab.biochem.____vt.edu/Pages/Personal/justin
<http://vt.edu/Pages/Personal/justin>
<http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>>
==============================____==========
--
P.Kalaiarasan
National Centre of Applied Human Genetics
School of Life Sciences
JNU
New Delhi
India
--
==============================__==========
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
==============================__==========
--
P.Kalaiarasan
National Centre of Applied Human Genetics
School of Life Sciences
JNU
New Delhi
India
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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