[gmx-users] My problem is How to define 5-methyl cytosine by amberff port in gromacs?

Masomeh Dehghani m_dehghani89 at yahoo.com
Sun May 29 11:29:42 CEST 2011

Hi all
 I have inserted a new residue (DM instead of 5CM) and changed relative files(dna.rtp,dna.r2b,dna.hdb,dna.arn ,residutypes.dat,defselection.dat),
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} 
anyhelp is greatly appreciate!

Best wishes


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