[gmx-users] gromacs is not recognising opls ff

Ayesha Fatima ayeshafatima.69 at gmail.com
Mon Aug 26 13:05:09 CEST 2019


Dear All,
I have come across another issue
When i want to use opls itp for cholesterol, it gives me this error " Fatal
error:
Residue 'OL' not found in residue topology database"
It does not take CHOL as the residue name as given below

[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB
   chargeB      massB
        1  opls_158   1   CHOL      C1      1   0.2050      12.011
        2  opls_140   1   CHOL      H1      1   0.0600      1.008
        3  opls_154   1   CHOL      O1      1  -0.6830      15.9994

Any suggestions?
Thank you
regards


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