Ravi Kumar Venkatraman wrote:
I could not find out what is wrong I tried add to add #include
"ions.itp" and #ifdef but it is not successful.
"SOL" is water, not ions. #include an appropriate water model.
-Justin
Fatal error:
No such moleculetype SOL
Please help me. I got stuck with thi
Ravi Kumar Venkatraman wrote:
Dear All,
When I try to grompp to generate .tpr file for mdrun from
topology generated by prodrg I am getting the following error.
Generated 279 of the 1225 non-bonded parameter combinations
Excluding 3 bonded neighbours molecule type 'PRODRG'
--
Dear All,
When I try to grompp to generate .tpr file for mdrun from
topology generated by prodrg I am getting the following error.
Generated 279 of the 1225 non-bonded parameter combinations
Excluding 3 bonded neighbours molecule type 'PRODRG'
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