On Mon, Feb 08, 2021, Junmei Wang wrote:
>We can solve the problem by adding the following lines:
>148,149d147
>< if(numatom >= read_atomnum)
>< atomrecord = 0;
>232,233d229
>< if(numbond >= read_bondnum)
>< bondrecord = 0;
>
>I have tested the code, and it works fine.
Junmei: can you provide a context diff here (i.e. lines around the ones
listed above)? Or just the patched mol2.c file?
...thanks...dave
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 22 2021 - 05:30:04 PST
