[gmx-users] Fwd: request

[Mark Abraham]

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.acomarine at gmail.com>
To: 	mark.abraham at 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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