[gmx-users] Re: new residue in the rtp fiels

[Arlan Goncalves]

Dear Marcela,
         That mistake is normal. In the first time, you need to acquired 
the itp from the prodrg server. After that, in each line you have the 
error, you need to add the parameters c0 and c1 from de itp file to your 
top file. Than you can run the pdb2gmx
for example:
-Some lines of my top file after that-

                   *PARAMETERS c0 AND c1 OF THE BONDS*
  1968  1969     1
  1969  1970     1
  1970  1971     1
  1971  1972     1 0.162    304571.8 0.162    304571.8
  1971  1975     1
  1971  1976     1
  1972  1973     1 0.147    376560.0 0.147    376560.0
  1972  1974     1 0.147    376560.0 0.147    376560.0
  1976  1977     1
  1977  1978     1

                         *PARAMETERS c0 AND C1 OF THE ANGLES*
  1968  1969  1970     1 111.0       460.2 111.0       460.2
  1969  1970  1971     1
  1970  1971  1972     1 103.0       397.5 103.0       397.5
  1970  1971  1975     1
  1970  1971  1976     1
  1972  1971  1975     1 109.6       397.5 109.6       397.5
  1972  1971  1976     1 103.0       397.5 103.0       397.5
  1975  1971  1976     1
  1971  1972  1973     1 109.5       376.6 109.5       376.6
  1971  1972  1974     1 109.5       376.6 109.5       376.6
  1973  1972  1974     1 109.5       376.6 109.5       376.6

                              PARAMETERS c0 AND c1 OF THE DIHEDRALS
  1968  1969  1970  1971     1
  1969  1970  1971  1976     1 0.0    1.0 3   0.0    1.0 3
  1969  1970  1971  1976     1 0.0    3.1 2   0.0    3.1 2
  1970  1971  1972  1974     1 0.0    1.0 3   0.0    1.0 3
  1970  1971  1972  1974     1 0.0    1.0 3   0.0    1.0 3
  1970  1971  1976  1977     1 0.0    1.0 3   0.0    1.0 3
  1970  1971  1976  1977     1 0.0    1.0 3   0.0    1.0 3
  1971  1976  1977  1978     1
  1976  1977  1978  1981     1

-- 
                                        Arlan da Silva Gonçalves
                                  IME-Instituto Militar de Engenharia
                                         Rio de Janeiro - Brasil