Hello Justin
Thank you very much for your effort and help. I will try adding new
parameter corresponding to the errors. Meanwhile just out of curiosity and
possible need, what should be done in case no matching parameters are
found for the missing dihedrals? I see that there are 6 fields in the
Hello Justin
Thank you very much for your effort and help. I will try adding new
parameter corresponding to the errors. Meanwhile just out of curiosity and
possible need, what should be done in case no matching parameters are
found for the missing dihedrals? I see that there are 6 fields in
On 2/14/13 11:54 AM, Abhishek Acharya wrote:
Hello Justin
Thank you very much for your effort and help. I will try adding new
parameter corresponding to the errors. Meanwhile just out of curiosity and
possible need, what should be done in case no matching parameters are
found for the missing
On 2/14/13 4:15 PM, Abhishek Acharya wrote:
Hello Justin
Thank you very much for your effort and help. I will try adding new
parameter corresponding to the errors. Meanwhile just out of curiosity and
possible need, what should be done in case no matching parameters are
found for the missing
Hello Justin.
Help would really be appreciated. And yes you are correct and i
thought the same. Initially I tried using opls_345B but it didn't
work. In fact if I use opls_345B it gives me an additional error.
Anyhow here are the relevant files.
topology file:
# [atoms]
15 ; nr type
On 2/12/13 6:19 AM, Abhishek Acharya wrote:
Hello Justin.
Help would really be appreciated. And yes you are correct and i
thought the same. Initially I tried using opls_345B but it didn't
work. In fact if I use opls_345B it gives me an additional error.
Anyhow here are the relevant files.
On 2/9/13 9:50 PM, Abhishek Acharya wrote:
Dear Gromacs Users.
I generated a topology file of GDP for OPLSAA force field using MKTOP. But
on running grompp I got a list of No default Angle types and No default
Ryckaert Bell. types error. So this time i manually assigned the
appropriate atom
Dear Gromacs Users.
I generated a topology file of GDP for OPLSAA force field using MKTOP. But
on running grompp I got a list of No default Angle types and No default
Ryckaert Bell. types error. So this time i manually assigned the
appropriate atom types by looking up the atomtypes.atp file and
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