Hi Chanda:
thx a lot for the helps, it works now.
However, I've got another question:
I am trying to insert "#ifdef POSRES_UNK" into ligand.itp file between
fowllowing two lines:
; position restraints for System of
[ position_restraints ]
Here is my script:
cat $pwd/$i/tmp.itp | sed '/; position restraints for System of \"/a\
#ifdef POSRES_UNK
' >| tmp2.itp
cat tmp2.itp >> ligand.itp
But it seems that the string "#ifdef POSRES_UNK" doesn't add to desired
.itp file.
Does anybody have any idea where is the problem?
thx a lot
Albert
On 08/07/2014 01:04 PM, Chandan Choudhury wrote:
Dear Albert,
You can have a look at the following page
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
Chandan
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