Invalid line in fnIII-12_SAMch3.gro for atom 1417

User discussions
1

I am getting this error below while solvating the system

Invalid line in .gro file for atom 1417.

2

Hi,
can you provide some details? For example, which command line gives the error, how looks like the line corresponding to the atom 1417, how was generated the gro file.
Thanks
Alessandra

3

Hi, here is the command line.

gmx solvate -cp fnIII-12_SAMch3.gro -cs spc216.gro -o fnIII-12_SAMch3_water.gro -p fnIII-12_SAMch3.top

Thanks for your reply.

4

Processing: IMG20220404165914.jpg…

5

Hi,
can you show how the line in the gro file corresponding to atom 1417 looks like?
\Alessandra

6

Hi , thank you very much for your reply.I was able to sort out myself.

Actually I did a mistake numbering the total number of atoms at the second line and then edited the file and saved.

I was able to do myself and it was very good learning experience and I am very much thankful to you for taking time in replying my queries

With regards,
Viswanath.V