Please do not send unsolicited private requests for help. The gmx-users
mailing list is appropriate. I am forwarding there without the file
attachments.
You should not mix force fields
http://www.gromacs.org/Documentation/How-tos/Parameterization
Your actual errors suggest you do not have interaction types defined for
the interactions specified in your molecule .itp file. You need to do
your own detective work to find out why.
Mark
-------- Original Message --------
Subject: request
Date: Fri, 27 May 2011 22:15:21 +0430
From: mona dehghani <mona.acomar...@gmail.com>
To: mark.abra...@anu.edu.au
Dear Dr.Abraham
I am a PHD student and I use from AMBER96FF ,CHARMM27ff ports in
GROMACS for simulation . DNA sequence is CGCGAATT(5CM)CGCG.I have
inserted a new residue (DM instead of 5CM) and changed relative
files(the attached files).
but I have fatal erorrs in grompp:
{erorr1:[file epo0003-DNA-chain-A.itp ,line 2322]:
No default Angletypes}
{erorr2:[file epo0003-DNA-chain-A.itp ,line 3679]:
No default Improper Dih.types}
{erorr3:[file epo0003-DNA-chain-B.itp ,line 2322]:
No default Angletypes}
{erorr4:[file epo0003-DNA-chain-B.itp ,line 3679]:
No default Improper Dih.types}
Please find the attached files .Kindly help me solve this problem.
I would really appreciate that
Mona Dehghani
Phd student
Institute of Biochemistry and Biophysics
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