Hi everyone again (and sorry for writting to much)
I've to extract all the frames of a dynamic in separated files and I was trying with cpptraj and the following loop:
parm CRBN-LVR-solv.prmtop
trajin CRBN-LVR-NVTcenter.mdcrd
for iFrame in {1..500}
trajout CRBN-LVR-\$iFrame.mdcrd onlyframes \$iFrame
do
run
But I get the following error:
INPUT: Reading input from 'extract.in'
[parm CRBN-LVR-solv.prmtop]
Reading 'CRBN-LVR-solv.prmtop' as Amber Topology
Radius Set: H(N)-modified Bondi radii (mbondi2)
[trajin CRBN-LVR-NVTcenter.mdcrd]
Reading 'CRBN-LVR-NVTcenter.mdcrd' as Amber Trajectory
[for iFrame in {1..500}]
Setting up 'for' loop.
CONTROL: Parsing control block.
BLOCK 0: for ((iFrame in {1..500})) do
[trajout CRBN-LVR-\$iFrame.mdcrd onlyframes \$iFrame]
Added command 'trajout' to control block 0.
[do]
Added command 'do' to control block 0.
Error: 1 unterminated control block(s) detected.
Error: 0 : for ((iFrame in {1..500})) do
TIME: Total execution time: 0.1296 seconds.
Error: Error(s) occurred during execution.
How can I fix it?
Thanks in advance
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 01 2023 - 13:00:02 PDT
