[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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